ethyl (3S)-1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(4-chlorophenyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(4-chlorophenyl)thio]propanoyl]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)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3S/c1-2-22-17(21)13-4-3-10-19(12-13)16(20)9-11-23-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3/t13-/m0/s1