3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]propanoic acid Openeye Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]propanoic acid CAS Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]propanoic acid IUPAC Name: 3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]propanoic acid Traditional Name: 3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]propionic acid Formula: C11H12N2O4S3 MolecularWeight: 332.41898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O4S3/c1-18-11-12-8-3-2-7(6-9(8)19-11)13-20(16,17)5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)