1-[5-(1-benzofuran-3-yl)-5-oxidanylidene-3-(phenylcarbonylsulfanyl)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-(1-benzofuran-3-yl)-5-oxidanylidene-3-(phenylcarbonylsulfanyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(benzofuran-3-yl)-3-benzoylsulfanyl-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(3-benzofuranyl)-3-(benzoylthio)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(1-benzofuran-3-yl)-3-benzoylsulfanyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(benzofuran-3-yl)-3-(benzoylthio)-5-keto-pentanoyl]proline Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC(=O)C2=COC3=CC=CC=C32)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(CC(=O)C2=COC3=CC=CC=C32)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO6S/c27-21(19-15-32-22-11-5-4-9-18(19)22)13-17(33-25(31)16-7-2-1-3-8-16)14-23(28)26-12-6-10-20(26)24(29)30/h1-5,7-9,11,15,17,20H,6,10,12-14H2,(H,29,30)