2-(4,5-dimethyl-1,2-benzothiazol-3-yl)ethanoate

Systemtic Name: 2-(4,5-dimethyl-1,2-benzothiazol-3-yl)ethanoate Openeye Name: 2-(4,5-dimethyl-1,2-benzothiazol-3-yl)acetate CAS Name: 2-(4,5-dimethyl-1,2-benzothiazol-3-yl)acetate IUPAC Name: 2-(4,5-dimethyl-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-(4,5-dimethyl-1,2-benzothiazol-3-yl)acetate Formula: C11H10NO2S- MolecularWeight: 220.2676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SN=C2CC(=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SN=C2CC(=O)[O-])C

InChI

InChI=1S/C11H11NO2S/c1-6-3-4-9-11(7(6)2)8(12-15-9)5-10(13)14/h3-4H,5H2,1-2H3,(H,13,14)/p-1