methyl 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-chlorobenzyl)thio]acetyl]isonipecotic acid methyl ester Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H20ClNO3S/c1-21-16(20)13-5-7-18(8-6-13)15(19)11-22-10-12-3-2-4-14(17)9-12/h2-4,9,13H,5-8,10-11H2,1H3