1-(2-phenylsulfanylethanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-phenylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-phenylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-phenylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(phenylthio)acetyl]isonipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC=CC=C2

InChI

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