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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H15N3O3S2/c1-24-16-12(5-4-9-19-16)17(22)23-11-15(21)20-13-6-2-3-7-14(13)25-10-8-18/h2-7,9H,10-11H2,1H3,(H,20,21)