2-(2-tert-butyl-1,3-benzothiazol-5-yl)ethanoate

Systemtic Name: 2-(2-tert-butyl-1,3-benzothiazol-5-yl)ethanoate Openeye Name: 2-(2-tert-butyl-1,3-benzothiazol-5-yl)acetate CAS Name: 2-(2-tert-butyl-1,3-benzothiazol-5-yl)acetate IUPAC Name: 2-(2-tert-butyl-1,3-benzothiazol-5-yl)acetate Traditional Name: 2-(2-tert-butyl-1,3-benzothiazol-5-yl)acetate Formula: C13H14NO2S- MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(S1)C=CC(=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(S1)C=CC(=C2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)12-14-9-6-8(7-11(15)16)4-5-10(9)17-12/h4-6H,7H2,1-3H3,(H,15,16)/p-1