[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C21H20N2O5S/c1-26-15-9-10-16(19(11-15)27-2)18(24)13-28-20(25)17-12-22-21(29-3)23(17)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3