[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H15N3O3S/c1-12-6-7-13(10-19-12)17(22)23-11-16(21)20-14-4-2-3-5-15(14)24-9-8-18/h2-7,10H,9,11H2,1H3,(H,20,21)