3-(carboxymethyloxy)-6-(oxan-4-ylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid

Systemtic Name: 3-(carboxymethyloxy)-6-(oxan-4-ylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-6-(tetrahydropyran-4-ylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-6-(4-oxanylamino)-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-6-(oxan-4-ylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-6-(tetrahydropyran-4-ylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

Isomeric SMILES

C1COCCC1NC2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

InChI

InChI=1S/C18H17NO6S2/c20-13(21)8-25-14-16-15(27-17(14)18(22)23)11-2-1-10(7-12(11)26-16)19-9-3-5-24-6-4-9/h1-2,7,9,19H,3-6,8H2,(H,20,21)(H,22,23)