Wednesday, November 30, 2011

http://ChemLookup.com Compounds




CAS RN: 65764-47-8
CAS Name: carbamic acid [(8E,12Z,14Z,19E)-19-[(2,2-dibutylhydrazinyl)methylidene]-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,17-pentaen-10-yl] ester
OPENEYE Name: [(8E,12Z,14Z,19E)-19-[(2,2-dibutylhydrazino)methylene]-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,17-pentaen-10-yl] carbamate
IUPAC Name: [(8E,12Z,14Z,19E)-19-[(2,2-dibutylhydrazinyl)methylidene]-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,17-pentaen-10-yl] carbamate
SYSTEMATIC NAME: [(8E,12Z,14Z,19E)-19-[(2,2-dibutylhydrazinyl)methylidene]-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,17-pentaen-10-yl] carbamate
MOLECULAR FORMULA: C38H58N4O9
MOLECULAR WEIGHT: 714.88852
SMILES: CCCCN(CCCC)N/C=C/1\C2=NC(=O)/C(=C\C=C/C(C(/C(=C/C(C(C(CC(CC(=C(C1=O)OC)C2=O)C)OC)O)C)/C)OC(=O)N)OC)/C
Structure:

CAS RN: 3598-37-6
CAS Name: (E)-2-butenedioic acid; 1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]ethanone
OPENEYE Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 2664-15-5
CAS Name: (E)-2-butenedioic acid; 1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]ethanone
OPENEYE Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 36839-96-0
CAS Name: 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid
OPENEYE Name: [(1E)-cycloocten-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
IUPAC Name: [(1E)-cycloocten-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SYSTEMATIC NAME: [(1E)-cycloocten-1-yl] 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate
MOLECULAR FORMULA: C12H13F9O3S
MOLECULAR WEIGHT: 408.280449
SMILES: C1CCC/C(=C\CC1)/OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 59086-92-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H52O8
MOLECULAR WEIGHT: 600.78258
SMILES: CCCCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)/C(=C/C)/C)C)O)C=C(C4=O)C)O)CO
Structure:

CAS RN: 77203-44-2
CAS Name: (6Z)-6-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[[4-(4-chlorophenyl)thiazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H11ClN2OS
MOLECULAR WEIGHT: 314.78934
SMILES: C1=C/C(=C/NC2=NC(=CS2)C3=CC=C(C=C3)Cl)/C(=O)C=C1
Structure:

CAS RN: 53472-38-1
CAS Name: (5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(E)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocin
OPENEYE Name: (5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(E)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine
IUPAC Name: (5Z,8Z)-8-(1-bromopropylidene)-3-chloro-2-[(E)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine
SYSTEMATIC NAME: (5Z,8Z)-8-(1-bromanylpropylidene)-3-chloranyl-2-[(E)-pent-2-en-4-ynyl]-2,3,4,7-tetrahydrooxocine
MOLECULAR FORMULA: C15H18BrClO
MOLECULAR WEIGHT: 329.65982
SMILES: CC/C(=C/1\C/C=C\CC(C(O1)C/C=C/C#C)Cl)/Br
Structure:

CAS RN: 67324-99-6
CAS Name: 3-acetyl-11-amino-1-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
OPENEYE Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
IUPAC Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
SYSTEMATIC NAME: 11-azanyl-1-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-3-ethanoyl-10-methoxy-3,6-bis(oxidanyl)-2,4-dihydro-1H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H30N2O9
MOLECULAR WEIGHT: 526.5351
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C5=C(C=CC=C5OC)C(=C4C3=O)O)N)(C(=O)C)O)N)O
Structure:

CAS RN: 72983-78-9
CAS Name: 3-acetyl-11-amino-1-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
OPENEYE Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
IUPAC Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
SYSTEMATIC NAME: 11-azanyl-1-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-3-ethanoyl-10-methoxy-3,6-bis(oxidanyl)-2,4-dihydro-1H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H30N2O9
MOLECULAR WEIGHT: 526.5351
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C5=C(C=CC=C5OC)C(=C4C3=O)O)N)(C(=O)C)O)N)O
Structure:

CAS RN: 76575-22-9
CAS Name: 3-acetyl-11-amino-1-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
OPENEYE Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
IUPAC Name: 3-acetyl-11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
SYSTEMATIC NAME: 11-azanyl-1-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-3-ethanoyl-10-methoxy-3,6-bis(oxidanyl)-2,4-dihydro-1H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H30N2O9
MOLECULAR WEIGHT: 526.5351
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C5=C(C=CC=C5OC)C(=C4C3=O)O)N)(C(=O)C)O)N)O
Structure:

CAS RN: 51820-82-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16O7
MOLECULAR WEIGHT: 308.28334
SMILES: C/C=C\1/C2C3(C=CC4C3C(O2)OC(C4C(=O)OC)O)OC1=O
Structure:

CAS RN: 5939-57-1
CAS Name: 17-[(E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
OPENEYE Name: 17-[(E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
IUPAC Name: 17-[(E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: 4,4,9,13,14-pentamethyl-17-[(E)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-2,3,16-tris(oxidanyl)-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
MOLECULAR FORMULA: C30H46O7
MOLECULAR WEIGHT: 518.68204
SMILES: CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)/C=C/C(C)(C)O)O)O)C)C)C)O)O)C
Structure:

CAS RN: 52223-78-6
CAS Name: (6E)-6-[(2-nitrophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
OPENEYE Name: (6E)-6-[(2-nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one
IUPAC Name: (6E)-6-[(2-nitrophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SYSTEMATIC NAME: (6E)-6-[(2-nitrophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C1CC2=CC=CC=C2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/C1
Structure:

CAS RN: 55726-49-3
CAS Name: (E)-N-[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]-9-octadecenamide
OPENEYE Name: (E)-N-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]octadec-9-enamide
IUPAC Name: (E)-N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadec-9-enamide
SYSTEMATIC NAME: (E)-N-[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]octadec-9-enamide
MOLECULAR FORMULA: C27H45N3O6
MOLECULAR WEIGHT: 507.6627
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Structure:

CAS RN: 4875-90-5
CAS Name: (2E)-2-(3-pyridinylmethylidene)-3H-inden-1-one
OPENEYE Name: (2E)-2-(3-pyridylmethylene)indan-1-one
IUPAC Name: (2E)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
SYSTEMATIC NAME: (2E)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C\1C2=CC=CC=C2C(=O)/C1=C/C3=CN=CC=C3
Structure:

CAS RN: 52617-32-0
CAS Name: (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[5-methyl-2-(1-methylethenyl)hex-5-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
OPENEYE Name: (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-(2-isopropenyl-5-methyl-hex-5-enyl)-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
IUPAC Name: (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
SYSTEMATIC NAME: (3Z)-3-[[3,4-bis(oxidanyl)phenyl]-oxidanyl-methylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-yl-hex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
MOLECULAR FORMULA: C38H50O6
MOLECULAR WEIGHT: 602.8
SMILES: CC(=CCC1CC2(C(=O)/C(=C(\C3=CC(=C(C=C3)O)O)/O)/C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CCC(=C)C)C(=C)C)C
Structure:

CAS RN: 64259-01-4
CAS Name: (3Z)-3-(2-furanylmethylidene)-1H-indol-2-one
OPENEYE Name: (3Z)-3-(2-furylmethylene)indolin-2-one
IUPAC Name: (3Z)-3-(furan-2-ylmethylidene)-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-(furan-2-ylmethylidene)-1H-indol-2-one
MOLECULAR FORMULA: C13H9NO2
MOLECULAR WEIGHT: 211.21606
SMILES: C1=CC=C2C(=C1)/C(=C/C3=CC=CO3)/C(=O)N2
Structure:

CAS RN: 58986-28-0
CAS Name: (E)-3-hydroxy-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-hydroxyprop-2-enoate
IUPAC Name: ethyl (E)-3-hydroxyprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-oxidanylprop-2-enoate
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CCOC(=O)/C=C/O
Structure:

CAS RN: 80224-53-9
CAS Name: (3Z)-3-[(4-chlorophenyl)methylidene]-5-phenyl-2-thiophenone
OPENEYE Name: (3Z)-3-[(4-chlorophenyl)methylene]-5-phenyl-thiophen-2-one
IUPAC Name: (3Z)-3-[(4-chlorophenyl)methylidene]-5-phenylthiophen-2-one
SYSTEMATIC NAME: (3Z)-3-[(4-chlorophenyl)methylidene]-5-phenyl-thiophen-2-one
MOLECULAR FORMULA: C17H11ClOS
MOLECULAR WEIGHT: 298.78664
SMILES: C1=CC=C(C=C1)C2=C/C(=C/C3=CC=C(C=C3)Cl)/C(=O)S2
Structure:

CAS RN: 60466-79-7
CAS Name: (3E)-5-ethyl-3-[(2-hydroxy-1-naphthalenyl)methylidene]-2-thiophenone
OPENEYE Name: (3E)-5-ethyl-3-[(2-hydroxy-1-naphthyl)methylene]thiophen-2-one
IUPAC Name: (3E)-5-ethyl-3-[(2-hydroxynaphthalen-1-yl)methylidene]thiophen-2-one
SYSTEMATIC NAME: (3E)-5-ethyl-3-[(2-oxidanylnaphthalen-1-yl)methylidene]thiophen-2-one
MOLECULAR FORMULA: C17H14O2S
MOLECULAR WEIGHT: 282.35686
SMILES: CCC1=C/C(=C\C2=C(C=CC3=CC=CC=C32)O)/C(=O)S1
Structure:

CAS RN: 86239-20-5
CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-2-thiophenone
OPENEYE Name: (3E)-3-(1,3-benzodioxol-5-ylmethylene)-5-ethyl-thiophen-2-one
IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one
SYSTEMATIC NAME: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-thiophen-2-one
MOLECULAR FORMULA: C14H12O3S
MOLECULAR WEIGHT: 260.30828
SMILES: CCC1=C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)S1
Structure:

CAS RN: 86239-19-2
CAS Name: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethyl-2-thiophenone
OPENEYE Name: (3Z)-3-[(4-chlorophenyl)methylene]-5-ethyl-thiophen-2-one
IUPAC Name: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
SYSTEMATIC NAME: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethyl-thiophen-2-one
MOLECULAR FORMULA: C13H11ClOS
MOLECULAR WEIGHT: 250.74384
SMILES: CCC1=C/C(=C/C2=CC=C(C=C2)Cl)/C(=O)S1
Structure:

CAS RN: 60466-78-6
CAS Name: (3Z)-5-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-thiophenone
OPENEYE Name: (3Z)-5-ethyl-3-[(2-hydroxy-3-methoxy-phenyl)methylene]thiophen-2-one
IUPAC Name: (3Z)-5-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methylidene]thiophen-2-one
SYSTEMATIC NAME: (3Z)-5-ethyl-3-[(3-methoxy-2-oxidanyl-phenyl)methylidene]thiophen-2-one
MOLECULAR FORMULA: C14H14O3S
MOLECULAR WEIGHT: 262.32416
SMILES: CCC1=C/C(=C/C2=C(C(=CC=C2)OC)O)/C(=O)S1
Structure:

CAS RN: 60466-77-5
CAS Name: (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethyl-2-thiophenone
OPENEYE Name: (3Z)-3-[(5-chloro-2-hydroxy-phenyl)methylene]-5-ethyl-thiophen-2-one
IUPAC Name: (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
SYSTEMATIC NAME: (3Z)-3-[(5-chloranyl-2-oxidanyl-phenyl)methylidene]-5-ethyl-thiophen-2-one
MOLECULAR FORMULA: C13H11ClO2S
MOLECULAR WEIGHT: 266.74324
SMILES: CCC1=C/C(=C/C2=C(C=CC(=C2)Cl)O)/C(=O)S1
Structure:

CAS RN: 60466-76-4
CAS Name: (3Z)-5-ethyl-3-[(2-hydroxyphenyl)methylidene]-2-thiophenone
OPENEYE Name: (3Z)-5-ethyl-3-[(2-hydroxyphenyl)methylene]thiophen-2-one
IUPAC Name: (3Z)-5-ethyl-3-[(2-hydroxyphenyl)methylidene]thiophen-2-one
SYSTEMATIC NAME: (3Z)-5-ethyl-3-[(2-hydroxyphenyl)methylidene]thiophen-2-one
MOLECULAR FORMULA: C13H12O2S
MOLECULAR WEIGHT: 232.29818
SMILES: CCC1=C/C(=C/C2=CC=CC=C2O)/C(=O)S1
Structure:

CAS RN: 65155-73-9
CAS Name: (3E)-5-phenyl-1-(phenylmethyl)-3-(phenylmethylene)-2-pyrrolone
OPENEYE Name: (3E)-1-benzyl-3-benzylidene-5-phenyl-pyrrol-2-one
IUPAC Name: (3E)-1-benzyl-3-benzylidene-5-phenylpyrrol-2-one
SYSTEMATIC NAME: (3E)-5-phenyl-1-(phenylmethyl)-3-(phenylmethylidene)pyrrol-2-one
MOLECULAR FORMULA: C24H19NO
MOLECULAR WEIGHT: 337.41376
SMILES: C1=CC=C(C=C1)CN2C(=C/C(=C\C3=CC=CC=C3)/C2=O)C4=CC=CC=C4
Structure:

CAS RN: 40322-48-3
CAS Name: (4E)-4-(4-morpholinylmethylidene)-2,3-dihydro-1-benzothiepin-5-one
OPENEYE Name: (4E)-4-(morpholinomethylene)-2,3-dihydro-1-benzothiepin-5-one
IUPAC Name: (4E)-4-(morpholin-4-ylmethylidene)-2,3-dihydro-1-benzothiepin-5-one
SYSTEMATIC NAME: (4E)-4-(morpholin-4-ylmethylidene)-2,3-dihydro-1-benzothiepin-5-one
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: C\1CSC2=CC=CC=C2C(=O)/C1=C/N3CCOCC3
Structure:

CAS RN: 40322-51-8
CAS Name: (4E)-1,1-dioxo-4-(phenylmethylene)-2,3-dihydro-1$l^{6}-benzothiepin-5-one
OPENEYE Name: (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one
IUPAC Name: (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one
SYSTEMATIC NAME: (4E)-1,1-bis(oxidanylidene)-4-(phenylmethylidene)-2,3-dihydro-1$l^{6}-benzothiepin-5-one
MOLECULAR FORMULA: C17H14O3S
MOLECULAR WEIGHT: 298.35626
SMILES: C\1CS(=O)(=O)C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3
Structure:

CAS RN: 40322-49-4
CAS Name: (4E)-4-ethylidene-2,3-dihydro-1-benzothiepin-5-one
OPENEYE Name: (4E)-4-ethylidene-2,3-dihydro-1-benzothiepin-5-one
IUPAC Name: (4E)-4-ethylidene-2,3-dihydro-1-benzothiepin-5-one
SYSTEMATIC NAME: (4E)-4-ethylidene-2,3-dihydro-1-benzothiepin-5-one
MOLECULAR FORMULA: C12H12OS
MOLECULAR WEIGHT: 204.28808
SMILES: C/C=C/1\CCSC2=CC=CC=C2C1=O
Structure:

CAS RN: 50638-24-9
CAS Name: 2-[(E)-2-(5-carbamimidoyl-2-benzofuranyl)ethenyl]-5-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoylbenzofuran-2-yl)vinyl]benzofuran-5-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: C1=CC2=C(C=C1C(=N)N)C=C(O2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
Structure:

CAS RN: 65426-90-6
CAS Name: 2-[(E)-2-(5-carbamimidoyl-2-benzofuranyl)ethenyl]-5-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoylbenzofuran-2-yl)vinyl]benzofuran-5-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: C1=CC2=C(C=C1C(=N)N)C=C(O2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
Structure:

CAS RN: 23504-55-4
CAS Name: (6E)-6-[[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC1(CC(CC(N1O)(C)C)N/C=C/2\C=CC=CC2=O)C
Structure:

CAS RN: 55306-11-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44O10
MOLECULAR WEIGHT: 648.73926
SMILES: CCCCC/C=C/C=C/C(=O)OC1C(C23C4C=C(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
Structure:

CAS RN: 15764-80-4
CAS Name: (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CCCC(C1/C=C/C(=C/C(=O)O)/C)(C)C
Structure:

CAS RN: 41033-69-6
CAS Name: (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CCCC(C1/C=C/C(=C/C(=O)O)/C)(C)C
Structure:

CAS RN: 70452-34-5
CAS Name: (3Z)-3-[2-(1H-indol-3-yl)-2-oxoethylidene]-1H-indol-2-one
OPENEYE Name: (3Z)-3-[2-(1H-indol-3-yl)-2-oxo-ethylidene]indolin-2-one
IUPAC Name: (3Z)-3-[2-(1H-indol-3-yl)-2-oxoethylidene]-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-[2-(1H-indol-3-yl)-2-oxidanylidene-ethylidene]-1H-indol-2-one
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)/C=C\3/C4=CC=CC=C4NC3=O
Structure:

CAS RN: 19246-24-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C59H77N13O19
MOLECULAR WEIGHT: 1272.31838
SMILES: CC1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2CCC(C2C(=O)N/C(=C\C3=CNC4=CC=CC=C43)/C(=O)NC(C(=O)NC(C(=O)N5CCC(C5C(=O)O1)O)C(C(C)C)O)C(C)C6=CNC7=CC=CC=C76)O)C)C(C)O)NC(=O)C(CO)NC(=O)CC(C(=O)O)N
Structure:

No comments:

Post a Comment