[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H19N3O3S/c1-13-6-7-14(2)16(11-13)26-18-15(5-3-9-22-18)19(24)25-12-17(23)21-10-4-8-20/h3,5-7,9,11H,4,10,12H2,1-2H3,(H,21,23)