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

Systemtic Name: 6-[2-(dimethylaminomethyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Openeye Name: 6-[2-(dimethylaminomethyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-[[2-(dimethylaminomethyl)-7-thieno[3,2-b]pyridinyl]oxy]-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-[2-(dimethylaminomethyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-[2-(dimethylaminomethyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-benzothiophene-3-carboxylic acid Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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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)CN(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-11-18(20(23)24)14-5-4-12(8-17(14)26-11)25-16-6-7-21-15-9-13(10-22(2)3)27-19(15)16/h4-9H,10H2,1-3H3,(H,23,24)