Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea
CAS Name: 1-[[(2S)-2-oxolanyl]methyl]-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[[(2S)-oxolan-2-yl]methyl]-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NC[C@@H]3CCCO3)/C1=O
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Product OPENEYE NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H21Cl2N2O3+
MOLECULAR WEIGHT: 360.25554
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H20Cl2N2O3
MOLECULAR WEIGHT: 359.2476
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N=CS3
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Product OPENEYE NAME: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea
CAS Name: 1-[[(2R)-2-oxolanyl]methyl]-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[[(2R)-oxolan-2-yl]methyl]-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NC[C@H]3CCCO3)/C1=O
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Product OPENEYE NAME: [(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H27N2O5+
MOLECULAR WEIGHT: 351.41738
SMILES: COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)OC)OC
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Product OPENEYE NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H26N2O5
MOLECULAR WEIGHT: 350.40944
SMILES: COC1=C(C=C(C=C1)CNC(=O)CN2CCC(CC2)C(=O)OC)OC
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-(2-oxo-3-oxazolidinyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C13H10N2O5S
MOLECULAR WEIGHT: 306.2939
SMILES: C1COC(=O)N1C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-cyclopropyl-thiourea
CAS Name: 1-cyclopropyl-3-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-cyclopropyl-3-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-cyclopropyl-3-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C15H16N4OS
MOLECULAR WEIGHT: 300.37874
SMILES: C=CCN1C2=CC=CC=C2/C(=N/NC(=S)NC3CC3)/C1=O
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Product OPENEYE NAME: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H25ClN3O5S+
MOLECULAR WEIGHT: 418.9155
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24ClN3O5S
MOLECULAR WEIGHT: 417.90756
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)OC
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