CAS RN: 58906-56-2
CAS Name: (2Z)-2-[3-ethyl-5-[2-hydroxyethyl(methyl)amino]-4-oxo-5-phenyl-2-thiazolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-[3-ethyl-5-[2-hydroxyethyl(methyl)amino]-4-oxo-5-phenyl-thiazolidin-2-ylidene]acetate
IUPAC Name: ethyl (2Z)-2-[3-ethyl-5-[2-hydroxyethyl(methyl)amino]-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2Z)-2-[3-ethyl-5-[2-hydroxyethyl(methyl)amino]-4-oxidanylidene-5-phenyl-1,3-thiazolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C18H24N2O4S
MOLECULAR WEIGHT: 364.45916
SMILES: CCN1/C(=C/C(=O)OCC)/SC(C1=O)(C2=CC=CC=C2)N(C)CCO
Structure:
CAS RN: 58906-55-1
CAS Name: (2Z)-2-[3-ethyl-4-oxo-5-phenyl-5-(1-piperidinyl)-2-thiazolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-[3-ethyl-4-oxo-5-phenyl-5-(1-piperidyl)thiazolidin-2-ylidene]acetate
IUPAC Name: ethyl (2Z)-2-(3-ethyl-4-oxo-5-phenyl-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-(3-ethyl-4-oxidanylidene-5-phenyl-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CCN1/C(=C/C(=O)OCC)/SC(C1=O)(C2=CC=CC=C2)N3CCCCC3
Structure:
CAS RN: 58906-45-9
CAS Name: (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-2-thiazolidinylidene)acetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-thiazolidin-2-ylidene)acetate
IUPAC Name: ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)acetate
SYSTEMATIC NAME: ethyl (2E)-2-(5-ethyl-3-methyl-4-oxidanylidene-5-phenyl-1,3-thiazolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C16H19NO3S
MOLECULAR WEIGHT: 305.39196
SMILES: CCC1(C(=O)N(/C(=C\C(=O)OCC)/S1)C)C2=CC=CC=C2
Structure:
CAS RN: 58888-92-9
CAS Name: (E)-3-propyl-3-hexenamide
OPENEYE Name: (E)-3-propylhex-3-enamide
IUPAC Name: (E)-3-propylhex-3-enamide
SYSTEMATIC NAME: (E)-3-propylhex-3-enamide
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CCC/C(=C\CC)/CC(=O)N
Structure:
CAS RN: 58880-24-3
CAS Name: butanoic acid [6-[[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(14E)-7-acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] butanoate
IUPAC Name: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
SYSTEMATIC NAME: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] butanoate
MOLECULAR FORMULA: C41H65NO16
MOLECULAR WEIGHT: 827.9519
SMILES: CCCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(=O)/C=C/C4C(O4)CC(OC(=O)CC(C3OC)OC(=O)C)C)C)CC=O)C)C
Structure:
CAS RN: 58880-23-2
CAS Name: propanoic acid [6-[[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(14E)-7-acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] propanoate
IUPAC Name: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
SYSTEMATIC NAME: [6-[6-[[(14E)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] propanoate
MOLECULAR FORMULA: C40H63NO16
MOLECULAR WEIGHT: 813.92532
SMILES: CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(=O)/C=C/C4C(O4)CC(OC(=O)CC(C3OC)OC(=O)C)C)C)CC=O)C)C
Structure:
CAS RN: 58880-22-1
CAS Name: acetic acid [(14E)-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ester
OPENEYE Name: [(14E)-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
IUPAC Name: [(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
SYSTEMATIC NAME: [(14E)-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] ethanoate
MOLECULAR FORMULA: C39H61NO16
MOLECULAR WEIGHT: 799.89874
SMILES: CC1CC(C(C(C(CC(=O)OC(CC2C(O2)/C=C/C1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O
Structure:
CAS RN: 58722-77-3
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-8-fluoro-6-benzo[b][1]benzothiepinyl)-4-methylpiperazine
OPENEYE Name: 1-(3-chloro-8-fluoro-benzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-8-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-8-fluoranyl-benzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H22ClFN2O4S
MOLECULAR WEIGHT: 476.948183
SMILES: CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-70-6
CAS Name: (E)-2-butenedioic acid; 3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propan-1-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(3-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C25H28ClFN2O5S
MOLECULAR WEIGHT: 523.016623
SMILES: C1CN(CCN1CCCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-69-3
CAS Name: (E)-2-butenedioic acid; 2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[4-(3-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C28H30ClFN2O9S
MOLECULAR WEIGHT: 625.062203
SMILES: C1N(CCN(C1)C2C3=C(SC4=C(C2)C=C(C=C4)Cl)C=C(C=C3)F)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-67-1
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
OPENEYE Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H24ClFN2O4S
MOLECULAR WEIGHT: 478.964063
SMILES: CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-59-1
CAS Name: (E)-2-butenedioic acid; 1-[4-(4-morpholinylsulfonyl)phenyl]-2-(4-phenyl-1-piperazinyl)ethanone
OPENEYE Name: fumaric acid; 1-(4-morpholinosulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C26H31N3O8S
MOLECULAR WEIGHT: 545.60464
SMILES: C1CN(CCN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-55-7
CAS Name: (E)-2-butenedioic acid; 2-(4-phenyl-1-piperazinyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C26H31N3O7S
MOLECULAR WEIGHT: 529.60524
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-51-3
CAS Name: (E)-2-butenedioic acid; N,N-diethyl-4-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide
OPENEYE Name: N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzenesulfonamide
MOLECULAR FORMULA: C26H33N3O7S
MOLECULAR WEIGHT: 531.62112
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-49-9
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-4-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide
OPENEYE Name: N,N-dimethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzenesulfonamide
MOLECULAR FORMULA: C24H29N3O7S
MOLECULAR WEIGHT: 503.56796
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-47-7
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-1-[4-(4-morpholinylsulfonyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-1-(4-morpholinosulfonylphenyl)ethanone
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C25H33N3O12S
MOLECULAR WEIGHT: 599.60742
SMILES: CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-45-5
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-1-[4-(1-piperidylsulfonyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C26H35N3O11S
MOLECULAR WEIGHT: 597.6346
SMILES: CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-43-3
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C25H33N3O11S
MOLECULAR WEIGHT: 583.60802
SMILES: CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-41-1
CAS Name: (E)-2-butenedioic acid; N,N-diethyl-4-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]benzenesulfonamide
OPENEYE Name: N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)acetyl]benzenesulfonamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)acetyl]benzenesulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)ethanoyl]benzenesulfonamide
MOLECULAR FORMULA: C25H35N3O11S
MOLECULAR WEIGHT: 585.6239
SMILES: CCN(S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58722-26-2
CAS Name: (E)-2-butenedioic acid; 1-(1-methoxy-5-benzo[b][1]benzothiepinyl)-4-methylpiperazine
OPENEYE Name: fumaric acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C24H26N2O5S
MOLECULAR WEIGHT: 454.53864
SMILES: CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC=C4OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58678-44-7
CAS Name: (5S,6E,8E,13E,15S,16R,19S)-5-hydroxy-7,15,19-trimethyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-3,12,18,21-tetrone
OPENEYE Name: (5S,6E,8E,13E,15S,16R,19S)-5-hydroxy-16-isopropyl-7,15,19-trimethyl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-3,12,18,21-tetrone
IUPAC Name: (5S,6E,8E,13E,15S,16R,19S)-5-hydroxy-7,15,19-trimethyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-3,12,18,21-tetrone
SYSTEMATIC NAME: (5S,6E,8E,13E,15S,16R,19S)-7,15,19-trimethyl-5-oxidanyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-3,12,18,21-tetrone
MOLECULAR FORMULA: C26H35N3O7
MOLECULAR WEIGHT: 501.572
SMILES: C[C@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@H](C(=O)O[C@@H]1C(C)C)C)O)/C
Structure:
CAS RN: 58591-23-4
CAS Name: (23E,25E,27E,29E,31E,33E,35E)-22-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carbox
OPENEYE Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-38-[6-(4-aminophenyl)-4-hydroxy-1,3-dimethyl-6-oxo-hexyl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-
IUPAC Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxyl
SYSTEMATIC NAME: (23E,25E,27E,29E,31E,33E,35E)-38-[7-(4-aminophenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-22-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-37-methyl-4,10,12,14,18,20-hexakis(oxidanyl)-2,8,16-tris(oxidanylidene)-1-oxacyclooctatriaconta-23,25
MOLECULAR FORMULA: C59H86N2O18
MOLECULAR WEIGHT: 1111.31674
SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O
Structure:
CAS RN: 58458-56-3
CAS Name: (E)-3-methyl-1-(4-morpholinyl)-4-phenyl-3-buten-1-one
OPENEYE Name: (E)-3-methyl-1-morpholino-4-phenyl-but-3-en-1-one
IUPAC Name: (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one
SYSTEMATIC NAME: (E)-3-methyl-1-morpholin-4-yl-4-phenyl-but-3-en-1-one
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: C/C(=C\C1=CC=CC=C1)/CC(=O)N2CCOCC2
Structure:
CAS RN: 58458-52-9
CAS Name: (E)-N-(2-hydroxyethyl)-3-methyl-4-phenyl-3-butenamide
OPENEYE Name: (E)-N-(2-hydroxyethyl)-3-methyl-4-phenyl-but-3-enamide
IUPAC Name: (E)-N-(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SYSTEMATIC NAME: (E)-N-(2-hydroxyethyl)-3-methyl-4-phenyl-but-3-enamide
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C/C(=C\C1=CC=CC=C1)/CC(=O)NCCO
Structure:
CAS RN: 54752-43-1
CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one
OPENEYE Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)indan-1-one
IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one
SYSTEMATIC NAME: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3H-inden-1-one
MOLECULAR FORMULA: C17H12O3
MOLECULAR WEIGHT: 264.27538
SMILES: C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 54739-30-9
CAS Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acid
OPENEYE Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acid
IUPAC Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9Z,11E)-13-oxidanylideneoctadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 54671-34-0
CAS Name: (2Z)-4-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-1,3-dithiole
OPENEYE Name: (2Z)-4-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-1,3-dithiole
IUPAC Name: (2Z)-4-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-1,3-dithiole
SYSTEMATIC NAME: (2Z)-4-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-1,3-dithiole
MOLECULAR FORMULA: C16H10Cl2S2
MOLECULAR WEIGHT: 337.2866
SMILES: C1=CC(=CC=C1/C=C\2/SC=C(S2)C3=CC=C(C=C3)Cl)Cl
Structure:
CAS RN: 54413-77-3
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-[8-methyl-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(8-methyl-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C25H30N2O4S2
MOLECULAR WEIGHT: 486.6467
SMILES: CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)SC)C(C2)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O
Structure:
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