ethyl 1-[3-(4-methylphenyl)sulfanylpropyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-methylphenyl)sulfanylpropyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(p-tolylsulfanyl)propyl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-methylphenyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylphenyl)sulfanylpropyl]piperidine-4-carboxylate Traditional Name: 1-[3-(p-tolylthio)propyl]isonipecotic acid ethyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C18H27NO2S/c1-3-21-18(20)16-9-12-19(13-10-16)11-4-14-22-17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3