4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid

Systemtic Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid Openeye Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid CAS Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]butanoic acid IUPAC Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]butanoic acid Traditional Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]butyric acid Formula: C12H14N2O4S3 MolecularWeight: 346.44556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S3/c1-19-12-13-9-5-4-8(7-10(9)20-12)14-21(17,18)6-2-3-11(15)16/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)