2-[(2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)thio]acetic acid IUPAC Name: 2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-keto-4-phenyl-1H-quinolin-3-yl)thio]acetic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C17H13NO3S/c19-14(20)10-22-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-17(16)21/h1-9H,10H2,(H,18,21)(H,19,20)