4,4-bis(fluoranyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4,4-bis(fluoranyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4,4-difluoro-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4,4-difluoro-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4,4-difluoro-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4,4-difluoro-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C9H13F2NO3S MolecularWeight: 253.266226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)(F)F

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)(F)F

InChI

InChI=1S/C9H13F2NO3S/c1-5(3-16)7(13)12-4-9(10,11)2-6(12)8(14)15/h5-6,16H,2-4H2,1H3,(H,14,15)