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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5S/c1-28-18-8-5-15(11-19(18)29-2)21-25-17(13-31-21)12-30-22(27)14-3-6-16(7-4-14)24-20(26)9-10-23/h3-8,11,13H,9,12H2,1-2H3,(H,24,26)