ethyl 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)benzyl]isonipecotic acid ethyl ester Formula: C16H23NO2S MolecularWeight: 293.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H23NO2S/c1-3-19-16(18)14-8-10-17(11-9-14)12-13-4-6-15(20-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3