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

Systemtic Name: 3-(carboxymethyloxy)-6-(cyclohexylcarbamoyl)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-6-(cyclohexylcarbamoyl)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-6-[(cyclohexylamino)-oxomethyl]-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-6-(cyclohexylcarbamoyl)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-6-(cyclohexylcarbamoyl)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

InChI

InChI=1S/C20H19NO6S2/c22-14(23)9-27-15-17-16(29-18(15)20(25)26)12-7-6-10(8-13(12)28-17)19(24)21-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,21,24)(H,22,23)(H,25,26)