[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(p-tolyl)thiazole-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(p-tolyl)thiazole-4-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H18N4O3S/c1-14-4-6-15(7-5-14)18-22-16(13-27-18)19(25)26-12-17(24)23(10-2-8-20)11-3-9-21/h4-7,13H,2-3,10-12H2,1H3