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

Systemtic Name: 1-[4-(1-benzofuran-3-yl)-2,3-dimethyl-4-oxidanylidene-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzofuran-3-yl)-2,3-dimethyl-4-oxo-2-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(3-benzofuranyl)-2-mercapto-2,3-dimethyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzofuran-3-yl)-2,3-dimethyl-4-oxo-2-sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzofuran-3-yl)-4-keto-2-mercapto-2,3-dimethyl-butanoyl]proline Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-11(16(21)13-10-25-15-8-4-3-6-12(13)15)19(2,26)18(24)20-9-5-7-14(20)17(22)23/h3-4,6,8,10-11,14,26H,5,7,9H2,1-2H3,(H,22,23)