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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-7-9-17(10-8-15)27-13-12-22-19(24)14-26-21(25)18-6-2-4-16-5-3-11-23-20(16)18/h2-11H,12-14H2,1H3,(H,22,24)