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

Systemtic Name: 2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-4-phenyl-butanoic acid Openeye Name: 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]-4-phenyl-butanoic acid CAS Name: 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]-4-phenylbutanoic acid IUPAC Name: 2-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]-4-phenylbutanoic acid Traditional Name: 2-[(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)thio]-4-phenyl-butyric acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO4S/c20-12-7-8-13-14(10-12)21-18(23)17(16(13)22)26-15(19(24)25)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,24,25)(H2,21,22,23)