2-(2-butyl-1,3-benzothiazol-6-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO2S/c1-2-3-4-12-14-10-6-5-9(8-13(15)16)7-11(10)17-12/h5-7H,2-4,8H2,1H3,(H,15,16)/p-1