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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-14-6-8-15(9-7-14)28-11-10-23-20(25)13-27-21(26)17-12-19(22)24-18-5-3-2-4-16(17)18/h2-9,12H,10-11,13H2,1H3,(H,23,25)