[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H16N2O3S/c19-15(12-21-16(20)13-6-8-17-9-7-13)18-10-11-22-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)