Thursday, August 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: tert-butyl 2-[(2-acetylsulfanyl-3-methyl-benzoyl)-cyclopentyl-amino]acetate
CAS Name: 2-[[[2-(acetylthio)-3-methylphenyl]-oxomethyl]-cyclopentylamino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[(2-acetylsulfanyl-3-methylbenzoyl)-cyclopentylamino]acetate
SYSTEMATIC NAME: tert-butyl 2-[cyclopentyl-(2-ethanoylsulfanyl-3-methyl-phenyl)carbonyl-amino]ethanoate
MOLECULAR FORMULA: C21H29NO4S
MOLECULAR WEIGHT: 391.52426
SMILES: CC1=CC=CC(=C1SC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C2CCCC2
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-5-amino-benzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-5-aminophenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-5-aminobenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[(5-azanyl-2-ethanoylsulfanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: CC(=O)SC1=C(C=C(C=C1)N)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[[2-acetylsulfanyl-3-(trifluoromethyl)benzoyl]-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-3-(trifluoromethyl)phenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[[2-acetylsulfanyl-3-(trifluoromethyl)benzoyl]-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-[2-ethanoylsulfanyl-3-(trifluoromethyl)phenyl]carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C17H18F3NO4S
MOLECULAR WEIGHT: 389.38933
SMILES: CC(=O)SC1=C(C=CC=C1C(F)(F)F)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[(3-acetylbenzenecarbothioyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[(3-acetylphenyl)-sulfanylidenemethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(3-acetylbenzenecarbothioyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-(3-ethanoylphenyl)carbothioyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H19NO3S
MOLECULAR WEIGHT: 305.39196
SMILES: CC(=O)C1=CC(=CC=C1)C(=S)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-4-methylsulfonyl-benzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-4-methylsulfonylphenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-4-methylsulfonylbenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-(2-ethanoylsulfanyl-4-methylsulfonyl-phenyl)carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C17H21NO6S2
MOLECULAR WEIGHT: 399.48174
SMILES: CC(=O)SC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 4-acetylsulfanyl-3-[carboxymethyl(cyclopentyl)carbamoyl]benzoic acid
CAS Name: 4-(acetylthio)-3-[[carboxymethyl(cyclopentyl)amino]-oxomethyl]benzoic acid
IUPAC NAME: 4-acetylsulfanyl-3-[carboxymethyl(cyclopentyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 3-[cyclopentyl(2-hydroxy-2-oxoethyl)carbamoyl]-4-ethanoylsulfanyl-benzoic acid
MOLECULAR FORMULA: C17H19NO6S
MOLECULAR WEIGHT: 365.40086
SMILES: CC(=O)SC1=C(C=C(C=C1)C(=O)O)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-acetylsulfanyl-3-(trifluoromethyl)benzoic acid
CAS Name: 2-(acetylthio)-3-(trifluoromethyl)benzoic acid
IUPAC NAME: 2-acetylsulfanyl-3-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-ethanoylsulfanyl-3-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C10H7F3O3S
MOLECULAR WEIGHT: 264.22099
SMILES: CC(=O)SC1=C(C=CC=C1C(F)(F)F)C(=O)O
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Product OPENEYE NAME: 2-[cyclopentyl-(2-hydroxybenzoyl)amino]acetic acid
CAS Name: 2-[cyclopentyl-[(2-hydroxyphenyl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[cyclopentyl-(2-hydroxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-(2-hydroxyphenyl)carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C14H17NO4
MOLECULAR WEIGHT: 263.28908
SMILES: C1CCC(C1)N(CC(=O)O)C(=O)C2=CC=CC=C2O
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-4-chloro-5-sulfamoyl-benzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-4-chloro-5-sulfamoylphenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-4-chloro-5-sulfamoylbenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[(4-chloranyl-2-ethanoylsulfanyl-5-sulfamoyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H19ClN2O6S2
MOLECULAR WEIGHT: 434.91486
SMILES: CC(=O)SC1=CC(=C(C=C1C(=O)N(CC(=O)O)C2CCCC2)S(=O)(=O)N)Cl
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Product OPENEYE NAME: 2-[(3-chloro-2-hydroxy-benzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[(3-chloro-2-hydroxyphenyl)-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(3-chloro-2-hydroxybenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[(3-chloranyl-2-oxidanyl-phenyl)carbonyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C14H16ClNO4
MOLECULAR WEIGHT: 297.73414
SMILES: C1CCC(C1)N(CC(=O)O)C(=O)C2=C(C(=CC=C2)Cl)O
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Product OPENEYE NAME: 2-[[3-chloro-2-(2,2-dimethylpropanoyl)benzenecarbothioyl]-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[3-chloro-2-(2,2-dimethyl-1-oxopropyl)phenyl]-sulfanylidenemethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[[3-chloro-2-(2,2-dimethylpropanoyl)benzenecarbothioyl]-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[[3-chloranyl-2-(2,2-dimethylpropanoyl)phenyl]carbothioyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C19H24ClNO3S
MOLECULAR WEIGHT: 381.91676
SMILES: CC(C)(C)C(=O)C1=C(C=CC=C1Cl)C(=S)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[(4-acetylbenzenecarbothioyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[(4-acetylphenyl)-sulfanylidenemethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(4-acetylbenzenecarbothioyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-(4-ethanoylphenyl)carbothioyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H19NO3S
MOLECULAR WEIGHT: 305.39196
SMILES: CC(=O)C1=CC=C(C=C1)C(=S)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxy-benzenecarbothioyl]amino]acetic acid
CAS Name: 2-[cyclopentyl-[[2-(2,2-dimethyl-1-oxopropyl)-3-methoxyphenyl]-sulfanylidenemethyl]amino]acetic acid
IUPAC NAME: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxybenzenecarbothioyl]amino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxy-phenyl]carbothioyl-amino]ethanoic acid
MOLECULAR FORMULA: C20H27NO4S
MOLECULAR WEIGHT: 377.49768
SMILES: CC(C)(C)C(=O)C1=C(C=CC=C1OC)C(=S)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 2-[cyclopentyl-(3-methyl-2-sulfanyl-benzoyl)amino]acetic acid
CAS Name: 2-[cyclopentyl-[(2-mercapto-3-methylphenyl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[cyclopentyl-(3-methyl-2-sulfanylbenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-(3-methyl-2-sulfanyl-phenyl)carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C15H19NO3S
MOLECULAR WEIGHT: 293.38126
SMILES: CC1=CC=CC(=C1S)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: 3-(2-chloroacetyl)-2-hydroxy-benzoic acid
CAS Name: 3-(2-chloro-1-oxoethyl)-2-hydroxybenzoic acid
IUPAC NAME: 3-(2-chloroacetyl)-2-hydroxybenzoic acid
SYSTEMATIC NAME: 3-(2-chloranylethanoyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C9H7ClO4
MOLECULAR WEIGHT: 214.60248
SMILES: C1=CC(=C(C(=C1)C(=O)O)O)C(=O)CCl
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Product OPENEYE NAME: 2-[(2-aminobenzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[(2-aminophenyl)-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(2-aminobenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[(2-aminophenyl)carbonyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: C1CCC(C1)N(CC(=O)O)C(=O)C2=CC=CC=C2N
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Product OPENEYE NAME: 2-[[2-acetylsulfanyl-4-(dimethylamino)benzoyl]-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-4-(dimethylamino)phenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[[2-acetylsulfanyl-4-(dimethylamino)benzoyl]-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-[4-(dimethylamino)-2-ethanoylsulfanyl-phenyl]carbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C18H24N2O4S
MOLECULAR WEIGHT: 364.45916
SMILES: CC(=O)SC1=C(C=CC(=C1)N(C)C)C(=O)N(CC(=O)O)C2CCCC2
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Product OPENEYE NAME: tert-butyl 2-[[3-(2-chloroacetyl)-2-hydroxy-benzoyl]-cyclopentyl-amino]acetate
CAS Name: 2-[[[3-(2-chloro-1-oxoethyl)-2-hydroxyphenyl]-oxomethyl]-cyclopentylamino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[[3-(2-chloroacetyl)-2-hydroxybenzoyl]-cyclopentylamino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[3-(2-chloranylethanoyl)-2-oxidanyl-phenyl]carbonyl-cyclopentyl-amino]ethanoate
MOLECULAR FORMULA: C20H26ClNO5
MOLECULAR WEIGHT: 395.87714
SMILES: CC(C)(C)OC(=O)CN(C1CCCC1)C(=O)C2=CC=CC(=C2O)C(=O)CCl
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-3,5-dichloro-benzoyl)-cyclopentyl-amino]acetic acid
CAS Name: 2-[[[2-(acetylthio)-3,5-dichlorophenyl]-oxomethyl]-cyclopentylamino]acetic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-3,5-dichlorobenzoyl)-cyclopentylamino]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis(chloranyl)-2-ethanoylsulfanyl-phenyl]carbonyl-cyclopentyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H17Cl2NO4S
MOLECULAR WEIGHT: 390.28148
SMILES: CC(=O)SC1=C(C=C(C=C1C(=O)N(CC(=O)O)C2CCCC2)Cl)Cl
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Product OPENEYE NAME: 4-chloro-2,2-dimethyl-pentanoate
CAS Name: 4-chloro-2,2-dimethylpentanoate
IUPAC NAME: 4-chloro-2,2-dimethylpentanoate
SYSTEMATIC NAME: 4-chloranyl-2,2-dimethyl-pentanoate
MOLECULAR FORMULA: C7H12ClO2-
MOLECULAR WEIGHT: 163.62198
SMILES: CC(CC(C)(C)C(=O)[O-])Cl
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Product OPENEYE NAME: 4-chloro-2,2-dimethyl-pentanoic acid
CAS Name: 4-chloro-2,2-dimethylpentanoic acid
IUPAC NAME: 4-chloro-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 4-chloranyl-2,2-dimethyl-pentanoic acid
MOLECULAR FORMULA: C7H13ClO2
MOLECULAR WEIGHT: 164.62992
SMILES: CC(CC(C)(C)C(=O)O)Cl
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Product OPENEYE NAME: 2-[N-[1-(2,2-dimethylpropanoyloxy)ethyl]-3,4-dihydroxy-anilino]-2-methyl-propanoate
CAS Name: 2-[N-[1-(2,2-dimethyl-1-oxopropoxy)ethyl]-3,4-dihydroxyanilino]-2-methylpropanoate
IUPAC NAME: 2-[N-[1-(2,2-dimethylpropanoyloxy)ethyl]-3,4-dihydroxyanilino]-2-methylpropanoate
SYSTEMATIC NAME: 2-[[3,4-bis(oxidanyl)phenyl]-[1-(2,2-dimethylpropanoyloxy)ethyl]amino]-2-methyl-propanoate
MOLECULAR FORMULA: C17H24NO6-
MOLECULAR WEIGHT: 338.37556
SMILES: CC(N(C1=CC(=C(C=C1)O)O)C(C)(C)C(=O)[O-])OC(=O)C(C)(C)C
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Product OPENEYE NAME: 2-[N-[1-(2,2-dimethylpropanoyloxy)ethyl]-3,4-dihydroxy-anilino]-2-methyl-propanoic acid
CAS Name: 2-[N-[1-(2,2-dimethyl-1-oxopropoxy)ethyl]-3,4-dihydroxyanilino]-2-methylpropanoic acid
IUPAC NAME: 2-[N-[1-(2,2-dimethylpropanoyloxy)ethyl]-3,4-dihydroxyanilino]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[[3,4-bis(oxidanyl)phenyl]-[1-(2,2-dimethylpropanoyloxy)ethyl]amino]-2-methyl-propanoic acid
MOLECULAR FORMULA: C17H25NO6
MOLECULAR WEIGHT: 339.3835
SMILES: CC(N(C1=CC(=C(C=C1)O)O)C(C)(C)C(=O)O)OC(=O)C(C)(C)C
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Product OPENEYE NAME: tris(3-hydroxypropyl)-methyl-phosphonium chloride
CAS Name: tris(3-hydroxypropyl)-methylphosphonium chloride
IUPAC NAME: tris(3-hydroxypropyl)-methylphosphanium chloride
SYSTEMATIC NAME: methyl-tris(3-oxidanylpropyl)phosphanium chloride
MOLECULAR FORMULA: C10H24ClO3P
MOLECULAR WEIGHT: 258.722521
SMILES: C[P+](CCCO)(CCCO)CCCO.[Cl-]
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