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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

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