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

Systemtic Name: 3-(carboxymethyloxy)-6-(phenylmethyl)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 6-benzyl-3-(carboxymethyloxy)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-6-(phenylmethyl)-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 6-benzyl-3-(carboxymethyloxy)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 6-benzyl-3-(carboxymethyloxy)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C20H14O5S2 MolecularWeight: 398.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

InChI

InChI=1S/C20H14O5S2/c21-15(22)10-25-16-18-17(27-19(16)20(23)24)13-7-6-12(9-14(13)26-18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,21,22)(H,23,24)