2-[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]ethanoate

Systemtic Name: 2-[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]ethanoate Openeye Name: 2-(2-isobutyl-1,3-benzothiazol-6-yl)acetate CAS Name: 2-[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]acetate IUPAC Name: 2-[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]acetate Traditional Name: 2-(2-isobutyl-1,3-benzothiazol-6-yl)acetate Formula: C13H14NO2S- MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO2S/c1-8(2)5-12-14-10-4-3-9(7-13(15)16)6-11(10)17-12/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)/p-1