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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-22(11-5-9-20)16(23)12-25-18(24)13-6-4-10-21-17(13)26-15-8-3-2-7-14(15)19/h2-4,6-8,10H,5,11-12H2,1H3