ethyl 1-[2-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H24FN3O5S/c1-3-29-19(27)14-8-10-24(11-9-14)18(26)13-30-20(28)17-12-23-21(31-2)25(17)16-6-4-15(22)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3