ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(1,4-dithiepan-6-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,4-dithiepan-6-yl)-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(1,4-dithiepan-6-yl)piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(1,4-dithiepan-6-yl)nipecotic acid ethyl ester Formula: C20H29NO2S2 MolecularWeight: 379.57976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CSCCSC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CSCCSC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29NO2S2/c1-2-23-19(22)20(13-17-7-4-3-5-8-17)9-6-10-21(16-20)18-14-24-11-12-25-15-18/h3-5,7-8,18H,2,6,9-16H2,1H3/t20-/m0/s1