ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,4-dithiepan-6-yl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C21H31NO3S2 MolecularWeight: 409.60574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CSCCSC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CSCCSC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H31NO3S2/c1-2-24-20(23)21(10-12-25-19-7-4-3-5-8-19)9-6-11-22(17-21)18-15-26-13-14-27-16-18/h3-5,7-8,18H,2,6,9-17H2,1H3/t21-/m0/s1