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

Systemtic Name: methyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-4-carboxylate Openeye Name: methyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidine-4-carboxylate CAS Name: (3S,4R)-3-[(4-chlorophenyl)thio]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-(4-chlorophenyl)sulfanyl-1-methylpiperidine-4-carboxylate Traditional Name: (3S,4R)-3-[(4-chlorophenyl)thio]-1-methyl-isonipecotic acid methyl ester Formula: C14H18ClNO2S MolecularWeight: 299.81622

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)SC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)SC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H18ClNO2S/c1-16-8-7-12(14(17)18-2)13(9-16)19-11-5-3-10(15)4-6-11/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1