3-(6-methoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(6-methoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(6-methoxy-2-oxo-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(6-methoxy-2-oxo-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(6-methoxy-2-oxo-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-keto-6-methoxy-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)S2)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)S2)CCCS(=O)(=O)O

InChI

InChI=1S/C11H13NO5S2/c1-17-8-3-4-9-10(7-8)18-11(13)12(9)5-2-6-19(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)