CAS RN: 73927-65-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H29NO6
MOLECULAR WEIGHT: 475.53296
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC4=CC=CC=C4CC5=CC=CC=C53.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73927-63-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H27NO7
MOLECULAR WEIGHT: 489.51648
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73926-94-0
CAS Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]-6-benzo[e]benzotriazolesulfonate
OPENEYE Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-sulfonate
IUPAC Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-6-sulfonate
SYSTEMATIC NAME: trisodium 2-[4-[(E)-2-(4-chloranyl-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-6-sulfonate
MOLECULAR FORMULA: C24H13ClN3Na3O9S3
MOLECULAR WEIGHT: 687.99203
SMILES: C1=CC2=C(C=CC3=NN(N=C23)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 73926-93-9
CAS Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]-5-benzo[e]benzotriazolesulfonate
OPENEYE Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
IUPAC Name: trisodium 2-[4-[(E)-2-(4-chloro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
SYSTEMATIC NAME: trisodium 2-[4-[(E)-2-(4-chloranyl-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
MOLECULAR FORMULA: C24H13ClN3Na3O9S3
MOLECULAR WEIGHT: 687.99203
SMILES: C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 73855-58-0
CAS Name: (5E)-5-(2-furanylmethylidene)-2-(hydroxyamino)-4-thiazolone
OPENEYE Name: (5E)-5-(2-furylmethylene)-2-(hydroxyamino)thiazol-4-one
IUPAC Name: (5E)-5-(furan-2-ylmethylidene)-2-(hydroxyamino)-1,3-thiazol-4-one
SYSTEMATIC NAME: (5E)-5-(furan-2-ylmethylidene)-2-(oxidanylamino)-1,3-thiazol-4-one
MOLECULAR FORMULA: C8H6N2O3S
MOLECULAR WEIGHT: 210.20984
SMILES: C1=COC(=C1)/C=C/2\C(=O)N=C(S2)NO
Structure:
CAS RN: 73855-57-9
CAS Name: (5E)-5-(cyclohexylmethylidene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-(cyclohexylmethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-(cyclohexylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-(cyclohexylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H13NOS2
MOLECULAR WEIGHT: 227.34632
SMILES: C1CCC(CC1)/C=C/2\C(=O)NC(=S)S2
Structure:
CAS RN: 73855-31-9
CAS Name: 1-[(E)-3-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)prop-1-enyl]-3,4-dihydro-2H-quinoline chloride
OPENEYE Name: 1-[(E)-3-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)prop-1-enyl]-3,4-dihydro-2H-quinoline chloride
IUPAC Name: 1-[(E)-3-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)prop-1-enyl]-3,4-dihydro-2H-quinoline chloride
SYSTEMATIC NAME: 1-[(E)-3-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)prop-1-enyl]-3,4-dihydro-2H-quinoline chloride
MOLECULAR FORMULA: C21H23ClN2
MOLECULAR WEIGHT: 338.87372
SMILES: C1CC2=CC=CC=C2N(C1)/C=C/C=[N+]3CCCC4=CC=CC=C43.[Cl-]
Structure:
CAS RN: 73840-47-8
CAS Name: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate
OPENEYE Name: 1-[(E)-styryl]pyridin-1-ium bromide hydrate
IUPAC Name: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate
SYSTEMATIC NAME: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate
MOLECULAR FORMULA: C13H14BrNO
MOLECULAR WEIGHT: 280.16036
SMILES: C1=CC=C(C=C1)/C=C/[N+]2=CC=CC=C2.O.[Br-]
Structure:
CAS RN: 73840-06-9
CAS Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methyl-1-cyclohexa-2,4-dienyl]ethenyl]phenyl]thiourea dihydrobromide
OPENEYE Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methyl-cyclohexa-2,4-dien-1-yl]vinyl]phenyl]thiourea dihydrobromide
IUPAC Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methylcyclohexa-2,4-dien-1-yl]ethenyl]phenyl]thiourea dihydrobromide
SYSTEMATIC NAME: 1-[2-[(E)-2-[1-(carbamothioylamino)-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]phenyl]thiourea dihydrobromide
MOLECULAR FORMULA: C17H22Br2N4S2
MOLECULAR WEIGHT: 506.32138
SMILES: CC1=CC=CC(C1)(/C=C/C2=CC=CC=C2NC(=S)N)NC(=S)N.Br.Br
Structure:
CAS RN: 73840-05-8
CAS Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methyl-1-cyclohexa-2,4-dienyl]ethenyl]-3-chlorophenyl]thiourea dihydrobromide
OPENEYE Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methyl-cyclohexa-2,4-dien-1-yl]vinyl]-3-chloro-phenyl]thiourea dihydrobromide
IUPAC Name: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methylcyclohexa-2,4-dien-1-yl]ethenyl]-3-chlorophenyl]thiourea dihydrobromide
SYSTEMATIC NAME: 1-[2-[(E)-2-[1-(carbamothioylamino)-3-chloranyl-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]-3-chloranyl-phenyl]thiourea dihydrobromide
MOLECULAR FORMULA: C17H20Br2Cl2N4S2
MOLECULAR WEIGHT: 575.2115
SMILES: CC1=CC(=CC(C1)(/C=C/C2=C(C=CC=C2Cl)NC(=S)N)NC(=S)N)Cl.Br.Br
Structure:
CAS RN: 73837-05-5
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(4R)-8-[(E)-3-chloroprop-2-enyl]-8-azabicyclo[3.2.1]octan-4-yl] ester
OPENEYE Name: [(4R)-8-[(E)-3-chloroallyl]-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenyl-acetate
IUPAC Name: [(4R)-8-[(E)-3-chloroprop-2-enyl]-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: [(4R)-8-[(E)-3-chloranylprop-2-enyl]-8-azabicyclo[3.2.1]octan-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C24H26ClNO3
MOLECULAR WEIGHT: 411.92114
SMILES: C1CC2CCC([C@@H]1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)N2C/C=C/Cl
Structure:
CAS RN: 73826-13-8
CAS Name: (E)-4-oxo-4-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]-2-butenoic acid
OPENEYE Name: (E)-4-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]but-2-enoic acid
MOLECULAR FORMULA: C14H14F3NO3
MOLECULAR WEIGHT: 301.26107
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 73818-80-1
CAS Name: (E)-3-(2-ethylphenyl)-2-propenethioic S-acid
OPENEYE Name: (E)-3-(2-ethylphenyl)prop-2-enethioic S-acid
IUPAC Name: (E)-3-(2-ethylphenyl)prop-2-enethioic S-acid
SYSTEMATIC NAME: (E)-3-(2-ethylphenyl)prop-2-enethioic S-acid
MOLECULAR FORMULA: C11H12OS
MOLECULAR WEIGHT: 192.27738
SMILES: CCC1=CC=CC=C1/C=C/C(=O)S
Structure:
CAS RN: 73806-64-1
CAS Name: (E)-2-butenedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethyl]guanidine
OPENEYE Name: fumaric acid; 2-[2-[methyl-[2-[o-tolyl(phenyl)methoxy]ethyl]amino]ethyl]guanidine
IUPAC Name: (E)-but-2-enedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethyl]guanidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[2-[methyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]amino]ethyl]guanidine
MOLECULAR FORMULA: C24H32N4O5
MOLECULAR WEIGHT: 456.53468
SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)CCN=C(N)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73806-18-5
CAS Name: 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid bis[(Z)-2,3-diiodoprop-2-enyl] ester
OPENEYE Name: bis[(Z)-2,3-diiodoallyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
IUPAC Name: bis[(Z)-2,3-diiodoprop-2-enyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SYSTEMATIC NAME: bis[(Z)-2,3-bis(iodanyl)prop-2-enyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
MOLECULAR FORMULA: C14H14I4O5
MOLECULAR WEIGHT: 769.87584
SMILES: C1C2OC(C1)C(C2C(=O)OC/C(=C/I)/I)C(=O)OC/C(=C/I)/I
Structure:
CAS RN: 73790-57-5
CAS Name: 4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2-piperazinone
OPENEYE Name: 4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-2-one
IUPAC Name: 4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-2-one
SYSTEMATIC NAME: 4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-2-one
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCNC(=O)C2
Structure:
CAS RN: 73771-83-2
CAS Name: (E)-2-butenedioic acid; 2,2,6,6-tetramethylpiperidine
OPENEYE Name: fumaric acid; 2,2,6,6-tetramethylpiperidine
IUPAC Name: (E)-but-2-enedioic acid; 2,2,6,6-tetramethylpiperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2,2,6,6-tetramethylpiperidine
MOLECULAR FORMULA: C13H23NO4
MOLECULAR WEIGHT: 257.32602
SMILES: CC1(CCCC(N1)(C)C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73771-58-1
CAS Name: (E)-1-(4-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol
OPENEYE Name: (E)-1-(4-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-ol
IUPAC Name: (E)-1-(4-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
SYSTEMATIC NAME: (E)-1-(4-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-ol
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC(C)(C)C(/C=C/C1=C(C2=C(C=C1)OCO2)OC)O
Structure:
CAS RN: 73758-29-9
CAS Name: N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]-2-propanamine
OPENEYE Name: N-[(E)-cinnamyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
IUPAC Name: N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SYSTEMATIC NAME: N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
MOLECULAR FORMULA: C19H20F3N
MOLECULAR WEIGHT: 319.36401
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NC/C=C/C2=CC=CC=C2
Structure:
CAS RN: 73698-56-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H30N2O4
MOLECULAR WEIGHT: 434.5274
SMILES: CN1C2CCC1CC(C2)C3C4=C(CCC5=CC=CC=C35)N=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73696-64-7
CAS Name: (1Z,3E)-1,3-bis(3-methyl-2-thiazolidinylidene)urea
OPENEYE Name: (1Z,3E)-1,3-bis(3-methylthiazolidin-2-ylidene)urea
IUPAC Name: (1Z,3E)-1,3-bis(3-methyl-1,3-thiazolidin-2-ylidene)urea
SYSTEMATIC NAME: (1Z,3E)-1,3-bis(3-methyl-1,3-thiazolidin-2-ylidene)urea
MOLECULAR FORMULA: C9H14N4OS2
MOLECULAR WEIGHT: 258.36366
SMILES: CN\1CCS/C1=N/C(=O)/N=C\2/N(CCS2)C
Structure:
CAS RN: 73688-97-8
CAS Name: 4-[(E)-2-methyl-4-(1-piperidinyl)but-2-enyl]-N-(2-thiazolyl)benzenesulfonamide hydrochloride
OPENEYE Name: 4-[(E)-2-methyl-4-(1-piperidyl)but-2-enyl]-N-thiazol-2-yl-benzenesulfonamide hydrochloride
IUPAC Name: 4-[(E)-2-methyl-4-piperidin-1-ylbut-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[(E)-2-methyl-4-piperidin-1-yl-but-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C19H26ClN3O2S2
MOLECULAR WEIGHT: 428.01164
SMILES: C/C(=C\CN1CCCCC1)/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3.Cl
Structure:
CAS RN: 73688-96-7
CAS Name: 4-[(Z)-2-chloro-4-(1-piperidinyl)but-2-enyl]-N-(2-thiazolyl)benzenesulfonamide hydrochloride
OPENEYE Name: 4-[(Z)-2-chloro-4-(1-piperidyl)but-2-enyl]-N-thiazol-2-yl-benzenesulfonamide hydrochloride
IUPAC Name: 4-[(Z)-2-chloro-4-piperidin-1-ylbut-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[(Z)-2-chloranyl-4-piperidin-1-yl-but-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C18H23Cl2N3O2S2
MOLECULAR WEIGHT: 448.43012
SMILES: C1CCN(CC1)C/C=C(/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)\Cl.Cl
Structure:
CAS RN: 73688-91-2
CAS Name: 4-chloro-1-nitro-2-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 4-chloro-1-nitro-2-[(E)-2-nitrovinyl]benzene
IUPAC Name: 4-chloro-1-nitro-2-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 4-chloranyl-1-nitro-2-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C8H5ClN2O4
MOLECULAR WEIGHT: 228.5893
SMILES: C1=CC(=C(C=C1Cl)/C=C/[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 73688-62-7
CAS Name: 4-[(E)-4-(1-piperidinyl)but-2-enyl]-N-(2-thiazolyl)benzenesulfonamide hydrochloride
OPENEYE Name: 4-[(E)-4-(1-piperidyl)but-2-enyl]-N-thiazol-2-yl-benzenesulfonamide hydrochloride
IUPAC Name: 4-[(E)-4-piperidin-1-ylbut-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[(E)-4-piperidin-1-ylbut-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C18H24ClN3O2S2
MOLECULAR WEIGHT: 413.98506
SMILES: C1CCN(CC1)C/C=C/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3.Cl
Structure:
CAS RN: 73684-72-7
CAS Name: (3E,11E,13Z)-6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3E,11E,13Z)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
IUPAC Name: (3E,11E,13Z)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3E,11E,13Z)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-15-oxidanyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C37H61NO12
MOLECULAR WEIGHT: 711.87974
SMILES: CCC1C(/C=C\C=C\C(=O)C(CC(C(C(/C=C/C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C(C(C(C(O3)C)O)OC)OC)O
Structure:
CAS RN: 73684-71-6
CAS Name: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-trie
IUPAC Name: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C37H61NO11
MOLECULAR WEIGHT: 695.88034
SMILES: CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC
Structure:
CAS RN: 73684-70-5
CAS Name: (3E,11E,13Z)-15-[(4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl)oxymethyl]-6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3E,11E,13Z)-15-[(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
IUPAC Name: (3E,11E,13Z)-15-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3E,11E,13Z)-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C36H59NO11
MOLECULAR WEIGHT: 681.85376
SMILES: CCC1C(/C=C\C=C\C(=O)C(CC(C(C(/C=C/C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(C(O3)C)O)O)OC
Structure:
CAS RN: 73665-15-3
CAS Name: (2E,5R,7S,8S,9S,10E,14R,15R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dione
OPENEYE Name: (2E,5R,7S,8S,9S,10E,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca
IUPAC Name: (2E,5R,7S,8S,9S,10E,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dione
SYSTEMATIC NAME: (2E,5R,7S,8S,9S,10E,14R,15R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dio
MOLECULAR FORMULA: C37H61NO12
MOLECULAR WEIGHT: 711.87974
SMILES: CC[C@@H]1[C@H](C2C(O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
Structure:
CAS RN: 73604-78-1
CAS Name: (E)-2-butenedioic acid; 1,3-dimethyl-3-(3-thiophenyl)pyrrolidine
OPENEYE Name: 1,3-dimethyl-3-(3-thienyl)pyrrolidine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1,3-dimethyl-3-thiophen-3-ylpyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1,3-dimethyl-3-thiophen-3-yl-pyrrolidine
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC1(CCN(C1)C)C2=CSC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73604-76-9
CAS Name: (E)-2-butenedioic acid; 1-methyl-3-(phenylmethyl)-3-thiophen-2-ylpyrrolidine
OPENEYE Name: 3-benzyl-1-methyl-3-(2-thienyl)pyrrolidine; fumaric acid
IUPAC Name: 3-benzyl-1-methyl-3-thiophen-2-ylpyrrolidine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-3-(phenylmethyl)-3-thiophen-2-yl-pyrrolidine
MOLECULAR FORMULA: C20H23NO4S
MOLECULAR WEIGHT: 373.46592
SMILES: CN1CCC(C1)(CC2=CC=CC=C2)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73604-74-7
CAS Name: (E)-2-butenedioic acid; 1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine
OPENEYE Name: fumaric acid; 1-methyl-3-propyl-3-(2-thienyl)pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-3-propyl-3-thiophen-2-yl-pyrrolidine
MOLECULAR FORMULA: C16H23NO4S
MOLECULAR WEIGHT: 325.42312
SMILES: CCCC1(CCN(C1)C)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73521-04-7
CAS Name: 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid 2-[4-[3-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethoxy]propyl]-1-piperazinyl]ethyl ester; (Z)-2-butenedioic acid
OPENEYE Name: 2-[4-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]oxypropyl]piperazin-1-yl]ethyl 4-benzamido-5-(dipropylamino)-5-oxo-pentanoate; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxypropyl]piperazin-1-yl]ethyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[4-[3-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyloxy]propyl]piperazin-1-yl]ethyl 4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C54H66ClN5O16
MOLECULAR WEIGHT: 1076.57874
SMILES: CCCN(C(=O)C(NC(=O)C1=CC=CC=C1)CCC(=O)OCCN2CCN(CC2)CCCOC(=O)CC3=C(N(C4=C3C=C(C=C4)OC)C(=O)C5=CC=C(C=C5)Cl)C)CCC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 73265-28-8
CAS Name: 4-[4-oxo-2-[(E)-2-phenylethenyl]-3-quinazolinyl]benzoic acid; piperazine
OPENEYE Name: 4-[4-oxo-2-[(E)-styryl]quinazolin-3-yl]benzoic acid; piperazine
IUPAC Name: 4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid; piperazine
SYSTEMATIC NAME: 4-[4-oxidanylidene-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid; piperazine
MOLECULAR FORMULA: C50H42N6O6
MOLECULAR WEIGHT: 822.90508
SMILES: C1NCCNC1.C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O.C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O
Structure:
CAS RN: 73248-78-9
CAS Name: (E)-2-butenedioic acid; 1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
OPENEYE Name: 1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(8-fluoranyl-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C21H23FN2O4S2
MOLECULAR WEIGHT: 450.546723
SMILES: CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=CS4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73237-55-5
CAS Name: (E)-2-butenedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxido-1-piperazin-1-iumyl]ethanol
OPENEYE Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol
MOLECULAR FORMULA: C24H27ClN2O6S
MOLECULAR WEIGHT: 506.99898
SMILES: C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)(CCO)[O-].C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73176-66-6
CAS Name: (1S,3R)-2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3R)-2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3R)-2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3R)-2,2-dimethyl-3-[(E)-2,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20F4O3
MOLECULAR WEIGHT: 408.386013
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(\C(F)(F)F)/F)C
Structure:
CAS RN: 73150-22-8
CAS Name: (E)-2-butenedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylthio)-1-(4-methyl-1-piperazinyl)ethanone
OPENEYE Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C25H28N2O5S2
MOLECULAR WEIGHT: 500.63022
SMILES: CN1CCN(CC1)C(=O)CSC2C3=CC=CC=C3CSC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 73149-99-2
CAS Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylammonium iodide
OPENEYE Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-ammonium iodide
IUPAC Name: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide
SYSTEMATIC NAME: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C20H24INS
MOLECULAR WEIGHT: 437.38073
SMILES: C[N+](C)(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.[I-]
Structure:
No comments:
Post a Comment