(5-ethanoyl-2-methoxy-phenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-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=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H20N2O4S/c1-14(24)15-9-10-19(26-2)16(11-15)13-27-20(25)18-12-22-21(28-3)23(18)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3