1-[3-ethanoylsulfanyl-4,4,4-tris(fluoranyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4,4,4-tris(fluoranyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-4,4,4-trifluoro-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4,4,4-trifluoro-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-4,4,4-trifluorobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4,4,4-trifluoro-butanoyl]proline Formula: C11H14F3NO4S MolecularWeight: 313.29337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14F3NO4S/c1-6(16)20-8(11(12,13)14)5-9(17)15-4-2-3-7(15)10(18)19/h7-8H,2-5H2,1H3,(H,18,19)