[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c21-15-6-8-16(9-7-15)27-12-11-22-19(24)13-26-20(25)18-10-5-14-3-1-2-4-17(14)23-18/h1-10H,11-13H2,(H,22,24)