(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethyl-butanoic acid

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethyl-butanoic acid Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethyl-butanoic acid CAS Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethylbutanoic acid IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethylbutanoic acid Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3,3-dimethyl-butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S2/c1-13(2,3)10(11(16)17)15-21(18,19)12-14-8-6-4-5-7-9(8)20-12/h4-7,10,15H,1-3H3,(H,16,17)/t10-/m1/s1