(5-ethanoyl-2-methoxy-phenyl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-14(24)16-8-9-19(26-2)17(10-16)12-27-20(25)18-13-28-21(23-18)22-11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,23)