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

Systemtic Name: 3-(carboxymethyloxy)-5-(cyclohexylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-5-(cyclohexylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-5-(cyclohexylamino)-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-5-(cyclohexylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-5-(cyclohexylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid Formula: C19H19NO5S2 MolecularWeight: 405.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S2/c21-13(22)9-25-14-17-16(27-18(14)19(23)24)11-7-4-8-12(15(11)26-17)20-10-5-2-1-3-6-10/h4,7-8,10,20H,1-3,5-6,9H2,(H,21,22)(H,23,24)