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

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-[2-(4-pyridylthio)acetyl]nipecotic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H28N2O3S/c1-3-28-22(27)23(15-19-8-5-4-7-18(19)2)11-6-14-25(17-23)21(26)16-29-20-9-12-24-13-10-20/h4-5,7-10,12-13H,3,6,11,14-17H2,1-2H3/t23-/m0/s1