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

Systemtic Name: 3-(carboxymethyloxy)-6-(cyclohexylmethylcarbamoyl)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-6-(cyclohexylmethylcarbamoyl)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-6-[(cyclohexylmethylamino)-oxomethyl]-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-6-(cyclohexylmethylcarbamoyl)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-6-(cyclohexylmethylcarbamoyl)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S2/c23-15(24)10-28-16-18-17(30-19(16)21(26)27)13-7-6-12(8-14(13)29-18)20(25)22-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,22,25)(H,23,24)(H,26,27)