2-ethyl-6-[2-(3-oxidanylpyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxylic acid

Systemtic Name: 2-ethyl-6-[2-(3-oxidanylpyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxylic acid Openeye Name: 2-ethyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-benzofuran-3-carboxylic acid CAS Name: 2-ethyl-6-[[2-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-7-thieno[3,2-b]pyridinyl]oxy]-3-benzofurancarboxylic acid IUPAC Name: 2-ethyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxylic acid Traditional Name: 2-ethyl-6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-benzofuran-3-carboxylic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(O1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC(C5)O)C(=O)O

Isomeric SMILES

CCC1=C(C2=C(O1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC(C5)O)C(=O)O

InChI

InChI=1S/C23H20N2O6S/c1-2-16-20(23(28)29)14-4-3-13(9-18(14)31-16)30-17-5-7-24-15-10-19(32-21(15)17)22(27)25-8-6-12(26)11-25/h3-5,7,9-10,12,26H,2,6,8,11H2,1H3,(H,28,29)