2-oxidanylidene-3-phenylsulfanyl-piperidine-1-carboxylic acid

Systemtic Name: 2-oxidanylidene-3-phenylsulfanyl-piperidine-1-carboxylic acid Openeye Name: 2-oxo-3-phenylsulfanyl-piperidine-1-carboxylic acid CAS Name: 2-oxo-3-(phenylthio)-1-piperidinecarboxylic acid IUPAC Name: 2-oxo-3-phenylsulfanylpiperidine-1-carboxylic acid Traditional Name: 2-keto-3-(phenylthio)piperidine-1-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1CC(C(=O)N(C1)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3S/c14-11-10(7-4-8-13(11)12(15)16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,15,16)