Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C24H24N4O5S
MOLECULAR WEIGHT: 480.53616
SMILES: CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)C
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C24H24N4O5S
MOLECULAR WEIGHT: 480.53616
SMILES: CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)C
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Product OPENEYE NAME: butyl (2R)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate
CAS Name: (2R)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid butyl ester
IUPAC NAME: butyl (2R)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate
SYSTEMATIC NAME: butyl (2R)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate
MOLECULAR FORMULA: C16H21ClN2O5
MOLECULAR WEIGHT: 356.80134
SMILES: CCCCOC(=O)[C@@H](C(C)C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H22N4O4S
MOLECULAR WEIGHT: 450.51018
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)C
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H22N4O4S
MOLECULAR WEIGHT: 450.51018
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@@H]3CC(=O)N(C3)C4=CC=C(C=C4)C
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Product OPENEYE NAME: (E)-3-(5-methyl-2-furyl)-N-[(2R)-2-morpholino-2-(2-thienyl)ethyl]prop-2-enamide
CAS Name: (E)-3-(5-methyl-2-furanyl)-N-[(2R)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-propenamide
IUPAC NAME: (E)-3-(5-methylfuran-2-yl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-methylfuran-2-yl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: CC1=CC=C(O1)/C=C/C(=O)NC[C@H](C2=CC=CS2)N3CCOCC3
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Product OPENEYE NAME: (E)-3-(5-methyl-2-furyl)-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]prop-2-enamide
CAS Name: (E)-3-(5-methyl-2-furanyl)-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-propenamide
IUPAC NAME: (E)-3-(5-methylfuran-2-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-methylfuran-2-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: CC1=CC=C(O1)/C=C/C(=O)NC[C@@H](C2=CC=CS2)N3CCOCC3
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Product OPENEYE NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-[[(2S)-2-oxolanyl]methyl]-3-[4-(trifluoromethylthio)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22F3NO4S2
MOLECULAR WEIGHT: 449.50749
SMILES: C1C[C@H](OC1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)SC(F)(F)F
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Product OPENEYE NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-[[(2R)-2-oxolanyl]methyl]-3-[4-(trifluoromethylthio)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22F3NO4S2
MOLECULAR WEIGHT: 449.50749
SMILES: C1C[C@@H](OC1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)SC(F)(F)F
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Product OPENEYE NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[[(2S)-2-oxolanyl]methyl]-3-[4-(trifluoromethylthio)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22F3NO4S2
MOLECULAR WEIGHT: 449.50749
SMILES: C1C[C@H](OC1)CN([C@H]2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)SC(F)(F)F
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Product OPENEYE NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[[(2R)-2-oxolanyl]methyl]-3-[4-(trifluoromethylthio)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22F3NO4S2
MOLECULAR WEIGHT: 449.50749
SMILES: C1C[C@@H](OC1)CN([C@H]2CCS(=O)(=O)C2)C(=O)/C=C/C3=CC=C(C=C3)SC(F)(F)F
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Product OPENEYE NAME: N-[(4-tert-butylphenyl)methyl]-2-[2-(methanesulfonamido)thiazol-4-yl]-N-methyl-acetamide
CAS Name: N-[(4-tert-butylphenyl)methyl]-2-[2-(methanesulfonamido)-4-thiazolyl]-N-methylacetamide
IUPAC NAME: N-[(4-tert-butylphenyl)methyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]ethanamide
MOLECULAR FORMULA: C18H25N3O3S2
MOLECULAR WEIGHT: 395.5394
SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)CC2=CSC(=N2)NS(=O)(=O)C
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-diethyl-benzamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-N,4-diethylbenzamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-diethylbenzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N,4-diethyl-benzamide
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: CCC1=CC=C(C=C1)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-N,4-diethyl-benzamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N,4-diethylbenzamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-N,4-diethylbenzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N,4-diethyl-benzamide
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: CCC1=CC=C(C=C1)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2
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Product OPENEYE NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-prop-2-enamide
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-propenamide
IUPAC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-prop-2-enamide
MOLECULAR FORMULA: C16H19NO5S
MOLECULAR WEIGHT: 337.39076
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-prop-2-enamide
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-propenamide
IUPAC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-prop-2-enamide
MOLECULAR FORMULA: C16H19NO5S
MOLECULAR WEIGHT: 337.39076
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-benzamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-N-ethyl-3-methylbenzamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methylbenzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-3-methyl-benzamide
MOLECULAR FORMULA: C14H19NO3S
MOLECULAR WEIGHT: 281.37056
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)C
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-benzamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-3-methylbenzamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methylbenzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-3-methyl-benzamide
MOLECULAR FORMULA: C14H19NO3S
MOLECULAR WEIGHT: 281.37056
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)C
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxy-benzamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-4-ethoxy-N-ethyl-3-methoxybenzamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxybenzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxy-benzamide
MOLECULAR FORMULA: C16H23NO5S
MOLECULAR WEIGHT: 341.42252
SMILES: CCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)OCC)OC
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxy-benzamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-ethoxy-N-ethyl-3-methoxybenzamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxybenzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-ethoxy-N-ethyl-3-methoxy-benzamide
MOLECULAR FORMULA: C16H23NO5S
MOLECULAR WEIGHT: 341.42252
SMILES: CCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)OCC)OC
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CAS Name: N-(4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
MOLECULAR FORMULA: C18H20N4O2S
MOLECULAR WEIGHT: 356.442
SMILES: C1CCC(CC1)C2=NN=C(O2)SCCC(=O)NC3=CC=C(C=C3)C#N
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