3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butyric acid Formula: C13H16N2O4S3 MolecularWeight: 360.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC

InChI

InChI=1S/C13H16N2O4S3/c1-7(2)11(12(16)17)15-22(18,19)8-4-5-9-10(6-8)21-13(14-9)20-3/h4-7,11,15H,1-3H3,(H,16,17)