ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-[2-(4-pyridylthio)acetyl]nipecotic acid ethyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-2-28-21(27)22(14-17-5-3-6-18(23)13-17)9-4-12-25(16-22)20(26)15-29-19-7-10-24-11-8-19/h3,5-8,10-11,13H,2,4,9,12,14-16H2,1H3/t22-/m0/s1