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

Systemtic Name: 1-(2-phenethylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-phenethylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(phenethylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-phenethylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(phenethylthio)acetyl]isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSCCC2=CC=CC=C2

InChI

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