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

Systemtic Name: 6-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-ethyl-1-benzothiophene-3-carboxylic acid Openeye Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-ethyl-benzothiophene-3-carboxylic acid CAS Name: 6-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]oxy]-2-ethyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-ethyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-ethyl-benzothiophene-3-carboxylic acid Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5)C(=O)O

Isomeric SMILES

CCC1=C(C2=C(S1)C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC5)C(=O)O

InChI

InChI=1S/C22H18N2O4S2/c1-2-16-19(22(26)27)13-5-4-12(10-17(13)29-16)28-15-6-7-23-14-11-18(30-20(14)15)21(25)24-8-3-9-24/h4-7,10-11H,2-3,8-9H2,1H3,(H,26,27)