1-[4-oxidanylidene-2-sulfanyl-4-[4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-oxidanylidene-2-sulfanyl-4-[4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-oxo-2-sulfanyl-4-[4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-mercapto-1,4-dioxo-4-[4-(trifluoromethyl)phenyl]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-oxo-2-sulfanyl-4-[4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-keto-2-mercapto-4-[4-(trifluoromethyl)phenyl]butanoyl]proline Formula: C16H16F3NO4S MolecularWeight: 375.36275

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)S)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)S)C(=O)O

InChI

InChI=1S/C16H16F3NO4S/c17-16(18,19)10-5-3-9(4-6-10)12(21)8-13(25)14(22)20-7-1-2-11(20)15(23)24/h3-6,11,13,25H,1-2,7-8H2,(H,23,24)