ethyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-4-carboxylate

Systemtic Name: ethyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-4-carboxylate Openeye Name: ethyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-4-carboxylate CAS Name: (3S,4R)-3-[(4-chlorophenyl)thio]-1-methyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methylpiperidine-4-carboxylate Traditional Name: (3S,4R)-3-[(4-chlorophenyl)thio]-1-methyl-isonipecotic acid ethyl ester Formula: C15H20ClNO2S MolecularWeight: 313.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1SC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)[C@H]1CCN(C[C@H]1SC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C15H20ClNO2S/c1-3-19-15(18)13-8-9-17(2)10-14(13)20-12-6-4-11(16)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14+/m0/s1