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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O3S/c1-13-4-7-16(10-14(13)2)24-19(26)12-28-20(27)18-11-23-21(29-3)25(18)17-8-5-15(22)6-9-17/h4-11H,12H2,1-3H3,(H,24,26)