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

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

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