1-[2-(cyanomethylsulfanyl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)acetyl]nipecotic acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C10H14N2O3S/c11-3-5-16-7-9(13)12-4-1-2-8(6-12)10(14)15/h8H,1-2,4-7H2,(H,14,15)