methyl 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-4-phenyl-butanoate

Systemtic Name: methyl 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-4-phenyl-butanoate Openeye Name: methyl 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]-4-phenyl-butanoate CAS Name: 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]-4-phenylbutanoate Traditional Name: 2-[(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)thio]-4-phenyl-butyric acid methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)SC2=C(NC3=C(C2=O)C=CC(=C3)Cl)O

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)SC2=C(NC3=C(C2=O)C=CC(=C3)Cl)O

InChI

InChI=1S/C20H18ClNO4S/c1-26-20(25)16(10-7-12-5-3-2-4-6-12)27-18-17(23)14-9-8-13(21)11-15(14)22-19(18)24/h2-6,8-9,11,16H,7,10H2,1H3,(H2,22,23,24)