Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N
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Product OPENEYE NAME: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C20H21N3O3S
MOLECULAR WEIGHT: 383.46404
SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3C
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Product OPENEYE NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid
IUPAC NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C18H17N3O3S
MOLECULAR WEIGHT: 355.41088
SMILES: CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O
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Product OPENEYE NAME: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CAS Name: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide
IUPAC NAME: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
SYSTEMATIC NAME: 2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide
MOLECULAR FORMULA: C26H27N5O2S
MOLECULAR WEIGHT: 473.58988
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CNC4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-(5-chloro-2-methyl-phenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(5-chloro-2-methylphenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(5-chloro-2-methylphenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methyl-phenyl)-2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H24ClN5O2S
MOLECULAR WEIGHT: 445.96556
SMILES: CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C)CNC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CAS Name: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C20H22FN5O2S
MOLECULAR WEIGHT: 415.484383
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C22H27N5O4S
MOLECULAR WEIGHT: 457.54588
SMILES: CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)OC)CNC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline
CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline
IUPAC NAME: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline
SYSTEMATIC NAME: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline
MOLECULAR FORMULA: C19H21ClN4OS
MOLECULAR WEIGHT: 388.91424
SMILES: CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline
CAS Name: N-[[5-[(2,6-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline
IUPAC NAME: N-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline
SYSTEMATIC NAME: N-[[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline
MOLECULAR FORMULA: C19H20Cl2N4OS
MOLECULAR WEIGHT: 423.3593
SMILES: CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)CNC3=CC=C(C=C3)OC
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Product OPENEYE NAME: (4S)-2-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-4H-benzo[h]chromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-4H-benzo[h][1]benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
MOLECULAR FORMULA: C25H18ClN3O
MOLECULAR WEIGHT: 411.88292
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)[C@H]3C4=C(C5=CC=CC=C5C=C4)OC(=C3C#N)N)Cl)C
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Product OPENEYE NAME: (4R)-2-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-4H-benzo[h]chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-4H-benzo[h][1]benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
MOLECULAR FORMULA: C25H18ClN3O
MOLECULAR WEIGHT: 411.88292
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)[C@@H]3C4=C(C5=CC=CC=C5C=C4)OC(=C3C#N)N)Cl)C
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Product OPENEYE NAME: 2-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CAS Name: 2-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-6-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile
IUPAC NAME: 2-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C25H21ClN4O2
MOLECULAR WEIGHT: 444.91284
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)C3=CC(=NC(=C3C#N)N)C4=CC(=C(C=C4)OC)OC)Cl)C
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Product OPENEYE NAME: ethyl (4R)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-6-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C21H19Cl2N3O3
MOLECULAR WEIGHT: 432.29986
SMILES: CCOC(=O)C1=C(OC(=C([C@H]1C2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C#N)N)CCl
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Product OPENEYE NAME: ethyl (4S)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-6-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C21H19Cl2N3O3
MOLECULAR WEIGHT: 432.29986
SMILES: CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C#N)N)CCl
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Product OPENEYE NAME: diethyl 4-(2-chloro-7,8-dimethyl-3-quinolyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 4-(2-chloro-7,8-dimethyl-3-quinolinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 4-(2-chloro-7,8-dimethylquinolin-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C24H27ClN2O4
MOLECULAR WEIGHT: 442.93518
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C(=O)OCC)C)C
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Product OPENEYE NAME: (4S)-2-amino-4-(2-chloro-6-methyl-3-quinolyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-(2-chloro-6-methyl-3-quinolinyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-(2-chloro-6-methylquinolin-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-(2-chloranyl-6-methyl-quinolin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C22H20ClN3O2
MOLECULAR WEIGHT: 393.8661
SMILES: CC1=CC2=CC(=C(N=C2C=C1)Cl)[C@H]3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N
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Product OPENEYE NAME: (4R)-2-amino-4-(2-chloro-6-methyl-3-quinolyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-(2-chloro-6-methyl-3-quinolinyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-(2-chloro-6-methylquinolin-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-(2-chloranyl-6-methyl-quinolin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C22H20ClN3O2
MOLECULAR WEIGHT: 393.8661
SMILES: CC1=CC2=CC(=C(N=C2C=C1)Cl)[C@@H]3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N
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Product OPENEYE NAME: methyl (4S)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-6-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C20H18ClN3O3
MOLECULAR WEIGHT: 383.82822
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)[C@H]3C(=C(OC(=C3C(=O)OC)C)N)C#N)Cl)C
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Product OPENEYE NAME: methyl (4R)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-6-amino-4-(2-chloro-7,8-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C20H18ClN3O3
MOLECULAR WEIGHT: 383.82822
SMILES: CC1=C(C2=NC(=C(C=C2C=C1)[C@@H]3C(=C(OC(=C3C(=O)OC)C)N)C#N)Cl)C
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide
CAS Name: N-(2-chlorophenyl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H14ClN3OS
MOLECULAR WEIGHT: 367.85196
SMILES: CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3Cl)C#N
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Product OPENEYE NAME: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-(3-iodophenyl)acetamide
CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]-N-(3-iodophenyl)acetamide
IUPAC NAME: 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(3-iodophenyl)acetamide
SYSTEMATIC NAME: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(3-iodanylphenyl)ethanamide
MOLECULAR FORMULA: C19H14IN3OS
MOLECULAR WEIGHT: 459.30343
SMILES: CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC(=CC=C3)I)C#N
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Product OPENEYE NAME: N-(4-acetylphenyl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide
CAS Name: N-(4-acetylphenyl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide
IUPAC NAME: N-(4-acetylphenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide
MOLECULAR FORMULA: C21H17N3O2S
MOLECULAR WEIGHT: 375.44358
SMILES: CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N
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Product OPENEYE NAME: ethyl 3-[[2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate
CAS Name: 3-[[2-[(3-cyano-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 3-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 3-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate
MOLECULAR FORMULA: C22H19N3O3S
MOLECULAR WEIGHT: 405.46956
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N
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