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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-13-4-6-15(7-5-13)23-10-9-19-16(20)12-22-17(21)14-3-2-8-18-11-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)