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

Systemtic Name: 2-methyl-6-[2-(3-oxidanylazetidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxylic acid Openeye Name: 6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-[[2-[(3-hydroxy-1-azetidinyl)-oxomethyl]-7-thieno[3,2-b]pyridinyl]oxy]-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid Formula: C21H16N2O5S2 MolecularWeight: 440.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC(C5)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC(C5)O)C(=O)O

InChI

InChI=1S/C21H16N2O5S2/c1-10-18(21(26)27)13-3-2-12(6-16(13)29-10)28-15-4-5-22-14-7-17(30-19(14)15)20(25)23-8-11(24)9-23/h2-7,11,24H,8-9H2,1H3,(H,26,27)