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

Systemtic Name: 1-(2-phenylsulfanylethanoyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-phenylsulfanylacetyl)piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-phenylsulfanylacetyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(phenylthio)acetyl]nipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c16-13(10-19-12-6-2-1-3-7-12)15-8-4-5-11(9-15)14(17)18/h1-3,6-7,11H,4-5,8-10H2,(H,17,18)