[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C2

Isomeric SMILES

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

InChI

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