[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H17N3O3S/c1-14-2-4-15(5-3-14)20-24-18(13-28-20)12-27-21(26)16-6-8-17(9-7-16)23-19(25)10-11-22/h2-9,13H,10,12H2,1H3,(H,23,25)