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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18FN3O3S MolecularWeight: 363.406523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C17H18FN3O3S/c1-10(15(22)20-12-5-6-12)24-16(23)14-9-19-17(25-2)21(14)13-7-3-11(18)4-8-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,20,22)