4-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-2-carboxylic acid

Systemtic Name: 4-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-2-carboxylic acid Openeye Name: 4-[3-(2-furylmethylsulfanyl)propyl]piperidine-2-carboxylic acid CAS Name: 4-[3-(2-furanylmethylthio)propyl]-2-piperidinecarboxylic acid IUPAC Name: 4-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-2-carboxylic acid Traditional Name: 4-[3-(2-furfurylthio)propyl]pipecolinic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1CCCSCC2=CC=CO2)C(=O)O

Isomeric SMILES

C1CNC(CC1CCCSCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C14H21NO3S/c16-14(17)13-9-11(5-6-15-13)3-2-8-19-10-12-4-1-7-18-12/h1,4,7,11,13,15H,2-3,5-6,8-10H2,(H,16,17)