ethyl (3R)-1-(2-methylsulfanylethanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2-methylsulfanylethanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2-methylsulfanylacetyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[2-(methylthio)-1-oxoethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2-methylsulfanylacetyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-[2-(methylthio)acetyl]-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CSC)CCCC2=CC=CC=C2

InChI

InChI=1S/C20H29NO3S/c1-3-24-19(23)20(12-7-11-17-9-5-4-6-10-17)13-8-14-21(16-20)18(22)15-25-2/h4-6,9-10H,3,7-8,11-16H2,1-2H3/t20-/m1/s1