ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-(3-phenylpropyl)-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(3-phenylpropyl)-1-[2-(4-pyridylthio)acetyl]nipecotic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CSC2=CC=NC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S/c1-2-29-23(28)24(13-6-10-20-8-4-3-5-9-20)14-7-17-26(19-24)22(27)18-30-21-11-15-25-16-12-21/h3-5,8-9,11-12,15-16H,2,6-7,10,13-14,17-19H2,1H3/t24-/m1/s1