[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CN=CC=C2)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CN=CC=C2)SCC#N

InChI

InChI=1S/C16H13N3O3S/c17-7-9-23-14-6-2-1-5-13(14)19-15(20)11-22-16(21)12-4-3-8-18-10-12/h1-6,8,10H,9,11H2,(H,19,20)