6-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Openeye Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]oxy]-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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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)N5CCC5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5)C(=O)O

InChI

InChI=1S/C21H16N2O4S2/c1-11-18(21(25)26)13-4-3-12(9-16(13)28-11)27-15-5-6-22-14-10-17(29-19(14)15)20(24)23-7-2-8-23/h3-6,9-10H,2,7-8H2,1H3,(H,25,26)