[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic 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=CC2=C(C(=C1)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl)N=CC=C2

InChI

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