[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-phenyl-5-(p-tolyl)thiazol-4-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-2-phenyl-4-thiazolyl]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-phenyl-5-(p-tolyl)thiazol-4-yl]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C23H21N3O3S/c1-16-8-10-17(11-9-16)22-19(26-23(30-22)18-6-3-2-4-7-18)14-21(28)29-15-20(27)25-13-5-12-24/h2-4,6-11H,5,13-15H2,1H3,(H,25,27)