[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c24-20(22-12-13-27-15-16-6-2-1-3-7-16)14-26-21(25)19-11-10-17-8-4-5-9-18(17)23-19/h1-11H,12-15H2,(H,22,24)