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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H18N4O3S/c1-14-2-6-17(7-3-14)24-21-25-18(13-29-21)12-28-20(27)15-4-8-16(9-5-15)23-19(26)10-11-22/h2-9,13H,10,12H2,1H3,(H,23,26)(H,24,25)