1-[2-ethanoylsulfanyl-3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-ethanoylsulfanyl-3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-acetylsulfanyl-3,3,3-trifluoro-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-3,3,3-trifluoro-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetylsulfanyl-3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)-3,3,3-trifluoro-propanoyl]proline Formula: C10H12F3NO4S MolecularWeight: 299.26679

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C(=O)N1CCCC1C(=O)O)C(F)(F)F

Isomeric SMILES

CC(=O)SC(C(=O)N1CCCC1C(=O)O)C(F)(F)F

InChI

InChI=1S/C10H12F3NO4S/c1-5(15)19-7(10(11,12)13)8(16)14-4-2-3-6(14)9(17)18/h6-7H,2-4H2,1H3,(H,17,18)