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

Systemtic Name: 1-[5-(furan-3-yl)-5-oxidanylidene-3-(phenylcarbonylsulfanyl)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoylsulfanyl-5-(3-furyl)-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-5-(3-furanyl)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoylsulfanyl-5-(furan-3-yl)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-5-(3-furyl)-5-keto-pentanoyl]proline Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c23-18(15-8-10-28-13-15)11-16(29-21(27)14-5-2-1-3-6-14)12-19(24)22-9-4-7-17(22)20(25)26/h1-3,5-6,8,10,13,16-17H,4,7,9,11-12H2,(H,25,26)