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

Systemtic Name: 1-[5-(1-benzofuran-2-yl)-2,3-diethyl-3-methanoylsulfanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(benzofuran-2-yl)-2,3-diethyl-3-formylsulfanyl-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(2-benzofuranyl)-2,3-diethyl-3-(formylthio)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(1-benzofuran-2-yl)-2,3-diethyl-3-formylsulfanyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(benzofuran-2-yl)-2,3-diethyl-3-(formylthio)-5-keto-pentanoyl]proline Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1C(=O)O)C(CC)(CC(=O)C2=CC3=CC=CC=C3O2)SC=O

Isomeric SMILES

CCC(C(=O)N1CCCC1C(=O)O)C(CC)(CC(=O)C2=CC3=CC=CC=C3O2)SC=O

InChI

InChI=1S/C23H27NO6S/c1-3-16(21(27)24-11-7-9-17(24)22(28)29)23(4-2,31-14-25)13-18(26)20-12-15-8-5-6-10-19(15)30-20/h5-6,8,10,12,14,16-17H,3-4,7,9,11,13H2,1-2H3,(H,28,29)