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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

InChI

InChI=1S/C21H19FN2O3S/c1-13-4-5-15(10-14(13)2)19(25)12-27-20(26)18-11-23-21(28-3)24(18)17-8-6-16(22)7-9-17/h4-11H,12H2,1-3H3