(2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-butanoic acid

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-butanoic acid CAS Name: (2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methylbutanoic acid IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-butyric acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H14N2O4S2/c1-7(2)10(11(15)16)14-20(17,18)12-13-8-5-3-4-6-9(8)19-12/h3-7,10,14H,1-2H3,(H,15,16)/t10-/m1/s1