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

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H26FN3O3S/c1-14(19(26)24-16-7-5-3-4-6-8-16)28-20(27)18-13-23-21(29-2)25(18)17-11-9-15(22)10-12-17/h9-14,16H,3-8H2,1-2H3,(H,24,26)