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

Systemtic Name: ethyl 1-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3S/c1-3-26-18(25)13-8-10-22(11-9-13)17(24)16-12-21-19(27-2)23(16)15-6-4-14(20)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3