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

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O5S/c1-28-15-8-9-16(18(10-15)29-2)24-19(26)12-30-20(27)17-11-23-21(31-3)25(17)14-6-4-13(22)5-7-14/h4-11H,12H2,1-3H3,(H,24,26)