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

Systemtic Name: 1-[5-(1-benzothiophen-2-yl)-5-oxidanylidene-3-(phenylcarbonylsulfanyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(benzothiophen-2-yl)-3-benzoylsulfanyl-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(1-benzothiophen-2-yl)-3-(benzoylthio)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(1-benzothiophen-2-yl)-3-benzoylsulfanyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(benzothiophen-2-yl)-3-(benzoylthio)-5-keto-pentanoyl]proline Formula: C25H23NO5S2 MolecularWeight: 481.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC(=O)C2=CC3=CC=CC=C3S2)SC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(CC(=O)C2=CC3=CC=CC=C3S2)SC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO5S2/c27-20(22-13-17-9-4-5-11-21(17)33-22)14-18(32-25(31)16-7-2-1-3-8-16)15-23(28)26-12-6-10-19(26)24(29)30/h1-5,7-9,11,13,18-19H,6,10,12,14-15H2,(H,29,30)