[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H14ClN3O3S/c18-12-4-6-13(7-5-12)25-16-14(3-1-9-21-16)17(23)24-11-15(22)20-10-2-8-19/h1,3-7,9H,2,10-11H2,(H,20,22)