2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)butyric acid Formula: C11H13N3O4S3 MolecularWeight: 347.43362

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=NSN=C21

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=NSN=C21

InChI

InChI=1S/C11H13N3O4S3/c1-19-6-5-8(11(15)16)14-21(17,18)9-4-2-3-7-10(9)13-20-12-7/h2-4,8,14H,5-6H2,1H3,(H,15,16)