[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-oxo-1H-pyridine-3-carboxylate CAS Name: 2-oxo-1H-pyridine-3-carboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-keto-1H-pyridine-3-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CNC2=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CNC2=O

InChI

InChI=1S/C17H18N2O4S/c1-12-4-6-13(7-5-12)24-10-9-18-15(20)11-23-17(22)14-3-2-8-19-16(14)21/h2-8H,9-11H2,1H3,(H,18,20)(H,19,21)