4,4-bis(fluoranyl)-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4,4-bis(fluoranyl)-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4,4-difluoro-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4,4-difluoro-1-(3-mercapto-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4,4-difluoro-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4,4-difluoro-1-(3-mercaptobutanoyl)proline Formula: C9H13F2NO3S MolecularWeight: 253.266226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)(F)F)S

Isomeric SMILES

CC(CC(=O)N1CC(CC1C(=O)O)(F)F)S

InChI

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