2-(1,3-benzothiazol-5-yl)-3,3-dimethyl-butanoic acid

Systemtic Name: 2-(1,3-benzothiazol-5-yl)-3,3-dimethyl-butanoic acid Openeye Name: 2-(1,3-benzothiazol-5-yl)-3,3-dimethyl-butanoic acid CAS Name: 2-(1,3-benzothiazol-5-yl)-3,3-dimethylbutanoic acid IUPAC Name: 2-(1,3-benzothiazol-5-yl)-3,3-dimethylbutanoic acid Traditional Name: 2-(1,3-benzothiazol-5-yl)-3,3-dimethyl-butyric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC2=C(C=C1)SC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C(C1=CC2=C(C=C1)SC=N2)C(=O)O

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)11(12(15)16)8-4-5-10-9(6-8)14-7-17-10/h4-7,11H,1-3H3,(H,15,16)