1-[2-[(4-fluorophenyl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]ethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[(4-fluorobenzyl)thio]acetyl]pipecolinic acid Formula: C15H18FNO3S MolecularWeight: 311.371723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FNO3S/c16-12-6-4-11(5-7-12)9-21-10-14(18)17-8-2-1-3-13(17)15(19)20/h4-7,13H,1-3,8-10H2,(H,19,20)