[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C13H15N3O3S/c1-16(8-4-6-14)11(17)9-19-13(18)10-5-3-7-15-12(10)20-2/h3,5,7H,4,8-9H2,1-2H3