Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[2-(2,4-dioxo-3-thiazolidinyl)ethylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H22N2O6S
MOLECULAR WEIGHT: 394.44208
SMILES: C[C@@H](C(=O)NCCN1C(=O)CSC1=O)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
IUPAC NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H19N3O4
MOLECULAR WEIGHT: 353.37186
SMILES: CCOC1=CC=CC=C1CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2
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Product OPENEYE NAME: (2S)-N-(2-isopropylpyrazol-3-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
MOLECULAR FORMULA: C20H23N5OS
MOLECULAR WEIGHT: 381.49452
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=NN3C(C)C
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Product OPENEYE NAME: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
IUPAC NAME: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3
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Product OPENEYE NAME: [2-[4-(difluoromethoxy)anilino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21F2NO5
MOLECULAR WEIGHT: 393.381246
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F
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Product OPENEYE NAME: (2R)-N-(2-isopropylpyrazol-3-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
MOLECULAR FORMULA: C20H23N5OS
MOLECULAR WEIGHT: 381.49452
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=NN3C(C)C
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Product OPENEYE NAME: [(1R)-2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[2-(2,4-dioxo-3-thiazolidinyl)ethylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H22N2O6S
MOLECULAR WEIGHT: 394.44208
SMILES: C[C@H](C(=O)NCCN1C(=O)CSC1=O)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propanamide
CAS Name: (2R)-N-[2-[(2R)-butan-2-yl]-3-pyrazolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H25N5OS
MOLECULAR WEIGHT: 395.5211
SMILES: CC[C@@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[2-(difluoromethoxy)anilino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21F2NO5
MOLECULAR WEIGHT: 393.381246
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC=C2OC(F)F
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Product OPENEYE NAME: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H18N2O4S
MOLECULAR WEIGHT: 358.41152
SMILES: C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide
CAS Name: (2R)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H25N5OS
MOLECULAR WEIGHT: 395.5211
SMILES: CC[C@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O7
MOLECULAR WEIGHT: 416.42446
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H24N2O7
MOLECULAR WEIGHT: 416.42446
SMILES: CCOC1=CC=CC=C1CCC(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC
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Product OPENEYE NAME: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H18N2O4S
MOLECULAR WEIGHT: 358.41152
SMILES: C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide
CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H25N5OS
MOLECULAR WEIGHT: 395.5211
SMILES: CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
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Product OPENEYE NAME: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H20N2O5S
MOLECULAR WEIGHT: 376.4268
SMILES: C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: N-(2-cyclopentylpyrazol-3-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-cyclopentylpyrazol-3-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-cyclopentylpyrazol-3-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H23N5OS
MOLECULAR WEIGHT: 393.50522
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=NN3C4CCCC4
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Product OPENEYE NAME: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C18H20N2O5S
MOLECULAR WEIGHT: 376.4268
SMILES: C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C25H33NO4
MOLECULAR WEIGHT: 411.53382
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C
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Product OPENEYE NAME: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C22H25NO4
MOLECULAR WEIGHT: 367.4382
SMILES: C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)CCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H21NO6
MOLECULAR WEIGHT: 371.38384
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
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