3-[2-(2-ethoxybut-1-enyl)-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(2-ethoxybut-1-enyl)-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-ethoxybut-1-enyl)-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-(2-ethoxybut-1-enyl)-5-methoxy-1-thieno[2,3-e][1,3]benzothiazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-(2-ethoxybut-1-enyl)-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-ethoxybut-1-enyl)-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Formula: C19H23NO5S3 MolecularWeight: 441.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-])OCC

Isomeric SMILES

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-])OCC

InChI

InChI=1S/C19H23NO5S3/c1-4-13(25-5-2)11-17-20(8-6-10-28(21,22)23)18-16(27-17)12-15(24-3)14-7-9-26-19(14)18/h7,9,11-12H,4-6,8,10H2,1-3H3