1-[4-(3-fluorophenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(3-fluorophenyl)-4-oxidanylidene-3-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-(3-fluorophenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-4-(3-fluorophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-4-(3-fluorophenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-(3-fluorophenyl)-4-keto-butanoyl]proline Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC(=CC=C2)F)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC(=CC=C2)F)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20FNO5S/c23-16-9-4-8-15(12-16)20(26)18(30-22(29)14-6-2-1-3-7-14)13-19(25)24-11-5-10-17(24)21(27)28/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,27,28)