methyl 1-(2-chloranyl-4,6-dimethyl-phenyl)-2-methylsulfanyl-piperidine-3-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-4,6-dimethyl-phenyl)-2-methylsulfanyl-piperidine-3-carboxylate Openeye Name: methyl 1-(2-chloro-4,6-dimethyl-phenyl)-2-methylsulfanyl-piperidine-3-carboxylate CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-2-(methylthio)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-4,6-dimethylphenyl)-2-methylsulfanylpiperidine-3-carboxylate Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-2-(methylthio)nipecotic acid methyl ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N2CCCC(C2SC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N2CCCC(C2SC)C(=O)OC)C

InChI

InChI=1S/C16H22ClNO2S/c1-10-8-11(2)14(13(17)9-10)18-7-5-6-12(15(18)21-4)16(19)20-3/h8-9,12,15H,5-7H2,1-4H3