1-[4-(1-benzofuran-3-yl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-benzofuran-3-yl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-acetylsulfanyl-4-(benzofuran-3-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-4-(3-benzofuranyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-acetylsulfanyl-4-(1-benzofuran-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)-4-(benzofuran-3-yl)-4-keto-butanoyl]proline Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=COC2=CC=CC=C21)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=COC2=CC=CC=C21)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C19H19NO6S/c1-11(21)27-17(18(23)20-8-4-6-14(20)19(24)25)9-15(22)13-10-26-16-7-3-2-5-12(13)16/h2-3,5,7,10,14,17H,4,6,8-9H2,1H3,(H,24,25)