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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H17N3O4S/c1-27-18-8-4-14(5-9-18)20-24-17(13-29-20)12-28-21(26)15-2-6-16(7-3-15)23-19(25)10-11-22/h2-9,13H,10,12H2,1H3,(H,23,25)