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

Systemtic Name: 2-methyl-6-[2-(3-oxidanylpyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-carboxylic acid Openeye Name: 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzofuran-3-carboxylic acid CAS Name: 6-[[2-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-7-thieno[3,2-b]pyridinyl]oxy]-2-methyl-3-benzofurancarboxylic acid IUPAC Name: 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzofuran-3-carboxylic acid Traditional Name: 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzofuran-3-carboxylic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H18N2O6S/c1-11-19(22(27)28)14-3-2-13(8-17(14)29-11)30-16-4-6-23-15-9-18(31-20(15)16)21(26)24-7-5-12(25)10-24/h2-4,6,8-9,12,25H,5,7,10H2,1H3,(H,27,28)