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

Systemtic Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(4-chlorobenzyl)thio]acetyl]nipecotic acid ethyl ester Formula: C17H22ClNO3S MolecularWeight: 355.87948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-2-22-17(21)14-4-3-9-19(10-14)16(20)12-23-11-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1