1-(2-phenethylsulfanylethanoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-phenethylsulfanylethanoyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-phenethylsulfanylacetyl)piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-(phenethylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-phenethylsulfanylacetyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(phenethylthio)acetyl]nipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-9-4-7-14(11-17)16(19)20)12-21-10-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20)