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

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-[2-(4-pyridylthio)acetyl]nipecotic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-3-29-22(27)23(15-18-6-4-7-19(14-18)28-2)10-5-13-25(17-23)21(26)16-30-20-8-11-24-12-9-20/h4,6-9,11-12,14H,3,5,10,13,15-17H2,1-2H3/t23-/m0/s1