[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3S/c1-14-4-6-16(7-5-14)12-24-20(27)15(2)29-21(28)19-13-25-22(30-3)26(19)18-10-8-17(23)9-11-18/h4-11,13,15H,12H2,1-3H3,(H,24,27)