3-(carboxymethyloxy)-5-(cyclohexylmethoxycarbonylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid

Systemtic Name: 3-(carboxymethyloxy)-5-(cyclohexylmethoxycarbonylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-5-(cyclohexylmethoxycarbonylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-5-[[cyclohexylmethoxy(oxo)methyl]amino]-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-5-(cyclohexylmethoxycarbonylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-5-(cyclohexylmethoxycarbonylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)NC2=CC=CC3=C2SC4=C3SC(=C4OCC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC(=O)NC2=CC=CC3=C2SC4=C3SC(=C4OCC(=O)O)C(=O)O

InChI

InChI=1S/C21H21NO7S2/c23-14(24)10-28-15-18-17(31-19(15)20(25)26)12-7-4-8-13(16(12)30-18)22-21(27)29-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,22,27)(H,23,24)(H,25,26)