3-[(2Z)-5-methoxy-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-5-methoxy-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-5-methoxy-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-5-methoxy-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-5-methoxy-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C14H17NO4S3 MolecularWeight: 359.48408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C=C1N(C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O

Isomeric SMILES

CC(=S)/C=C\1/N(C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O

InChI

InChI=1S/C14H17NO4S3/c1-10(20)8-14-15(6-3-7-22(16,17)18)12-9-11(19-2)4-5-13(12)21-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17,18)/b14-8-