1-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)piperidine-3-carboxylic acid CAS Name: 1-[2-(5-benzo[b][1]benzothiepinylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(benzo[b][1]benzothiepin-5-ylthio)ethyl]nipecotic acid Formula: C22H23NO2S2 MolecularWeight: 397.55352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSC2=CC3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCSC2=CC3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H23NO2S2/c24-22(25)17-7-5-11-23(15-17)12-13-26-21-14-16-6-1-3-9-19(16)27-20-10-4-2-8-18(20)21/h1-4,6,8-10,14,17H,5,7,11-13,15H2,(H,24,25)