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

Systemtic Name: 1-[4-oxidanylidene-3-(phenylcarbonylsulfanyl)-4-thiophen-2-yl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-4-oxo-4-(2-thienyl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-1,4-dioxo-4-thiophen-2-ylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-4-keto-4-(2-thienyl)butanoyl]proline Formula: C20H19NO5S2 MolecularWeight: 417.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=CS2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=CS2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO5S2/c22-17(21-10-4-8-14(21)19(24)25)12-16(18(23)15-9-5-11-27-15)28-20(26)13-6-2-1-3-7-13/h1-3,5-7,9,11,14,16H,4,8,10,12H2,(H,24,25)