ethyl (3S)-3-(phenylmethyl)-1-(thian-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-(phenylmethyl)-1-(thian-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-tetrahydrothiopyran-4-yl-piperidine-3-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1-(4-thianyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(thian-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-tetrahydrothiopyran-4-yl-nipecotic acid ethyl ester Formula: C20H29NO2S MolecularWeight: 347.51476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CCSCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CCSCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29NO2S/c1-2-23-19(22)20(15-17-7-4-3-5-8-17)11-6-12-21(16-20)18-9-13-24-14-10-18/h3-5,7-8,18H,2,6,9-16H2,1H3/t20-/m0/s1