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

Systemtic Name: 3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1-yl]propane-1-sulfonate Openeye Name: 3-[5-methoxy-2-(2-thioxobutylidene)thieno[2,3-e][1,3]benzothiazol-1-yl]propane-1-sulfonate CAS Name: 3-[5-methoxy-2-(2-sulfanylidenebutylidene)-1-thieno[2,3-e][1,3]benzothiazolyl]-1-propanesulfonate IUPAC Name: 3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1-yl]propane-1-sulfonate Traditional Name: 3-[5-methoxy-2-(2-thioxobutylidene)thieno[2,3-e][1,3]benzothiazol-1-yl]propane-1-sulfonate Formula: C17H18NO4S4- MolecularWeight: 428.58912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C=C1N(C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCC(=S)C=C1N(C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H19NO4S4/c1-3-11(23)9-15-18(6-4-8-26(19,20)21)16-14(25-15)10-13(22-2)12-5-7-24-17(12)16/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,20,21)/p-1