1-[4-(furan-2-yl)-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(furan-2-yl)-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-benzoylsulfanyl-4-(2-furyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)-4-(2-furanyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-benzoylsulfanyl-4-(furan-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-4-(2-furyl)-4-keto-butanoyl]proline Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=CO2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)C2=CC=CO2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO6S/c22-15(16-9-5-11-27-16)12-17(28-20(26)13-6-2-1-3-7-13)18(23)21-10-4-8-14(21)19(24)25/h1-3,5-7,9,11,14,17H,4,8,10,12H2,(H,24,25)