ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate CAS Name: 1-[4-(phenylthio)butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-phenylsulfanylbutyl)piperidine-4-carboxylate Traditional Name: 1-[4-(phenylthio)butyl]isonipecotic acid ethyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-2-21-18(20)16-10-13-19(14-11-16)12-6-7-15-22-17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3