ethyl (3R)-1-(2-methylsulfanylphenyl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2-methylsulfanylphenyl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate CAS Name: (3R)-1-[[2-(methylthio)phenyl]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate Traditional Name: (3R)-3-benzyl-1-[2-(methylthio)benzoyl]nipecotic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2SC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC=CC=C2SC)CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO3S/c1-3-27-22(26)23(16-18-10-5-4-6-11-18)14-9-15-24(17-23)21(25)19-12-7-8-13-20(19)28-2/h4-8,10-13H,3,9,14-17H2,1-2H3/t23-/m1/s1