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

Systemtic Name: 3-(carboxymethyloxy)-6-(cyclohexylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Openeye Name: 3-(carboxymethyloxy)-6-(cyclohexylamino)thieno[3,2-b]benzothiophene-2-carboxylic acid CAS Name: 3-(carboxymethyloxy)-6-(cyclohexylamino)-2-thieno[3,2-b][1]benzothiolecarboxylic acid IUPAC Name: 3-(carboxymethyloxy)-6-(cyclohexylamino)thieno[3,2-b][1]benzothiole-2-carboxylic acid Traditional Name: 3-(carboxymethyloxy)-6-(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=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=CC3=C(C=C2)C4=C(S3)C(=C(S4)C(=O)O)OCC(=O)O

InChI

InChI=1S/C19H19NO5S2/c21-14(22)9-25-15-17-16(27-18(15)19(23)24)12-7-6-11(8-13(12)26-17)20-10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,21,22)(H,23,24)