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

Systemtic Name: 1-[4-(1-benzofuran-2-yl)-4-oxidanylidene-2-(phenylcarbonylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzofuran-2-yl)-2-benzoylsulfanyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(2-benzofuranyl)-2-(benzoylthio)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzofuran-2-yl)-2-benzoylsulfanyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzofuran-2-yl)-2-(benzoylthio)-4-keto-butanoyl]proline Formula: C24H21NO6S MolecularWeight: 451.49164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)C2=CC3=CC=CC=C3O2)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(=O)C2=CC3=CC=CC=C3O2)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H21NO6S/c26-18(20-13-16-9-4-5-11-19(16)31-20)14-21(32-24(30)15-7-2-1-3-8-15)22(27)25-12-6-10-17(25)23(28)29/h1-5,7-9,11,13,17,21H,6,10,12,14H2,(H,28,29)