2-[(2S)-3-methylbutan-2-yl]-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylate

Systemtic Name: 2-[(2S)-3-methylbutan-2-yl]-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylate Openeye Name: 2-[(1S)-1,2-dimethylpropyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate CAS Name: 2-[(2S)-3-methylbutan-2-yl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate IUPAC Name: 2-[(2S)-3-methylbutan-2-yl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate Traditional Name: 2-[(1S)-1,2-dimethylpropyl]-1,1,3-triketo-1,2-benzothiazole-6-carboxylate Formula: C13H14NO5S- MolecularWeight: 296.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO5S/c1-7(2)8(3)14-12(15)10-5-4-9(13(16)17)6-11(10)20(14,18)19/h4-8H,1-3H3,(H,16,17)/p-1/t8-/m0/s1