[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,4-diphenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,4-diphenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2,4-diphenylthiazole-5-carboxylate CAS Name: 2,4-diphenyl-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2,4-diphenyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-diphenylthiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H17N3O3S/c22-12-7-13-23-17(25)14-27-21(26)19-18(15-8-3-1-4-9-15)24-20(28-19)16-10-5-2-6-11-16/h1-6,8-11H,7,13-14H2,(H,23,25)