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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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