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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

InChI

InChI=1S/C18H22FN3O3S/c1-11(2)9-20-16(23)12(3)25-17(24)15-10-21-18(26-4)22(15)14-7-5-13(19)6-8-14/h5-8,10-12H,9H2,1-4H3,(H,20,23)