Molecule ID: 3034351

IUPAC Name: ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

Description: The molecule is the ethyl ester of benazolin. It is used as a post-emergence herbicide used (generally as a salt or ester) for the control of annual weeds in wheat and oilseed rape. It is not approved for use with the European Union. It has a role as a proherbicide and a synthetic auxin. It is a member of benzothiazoles, an organochlorine pesticide and an ethyl ester. It derives from a benazolin.

SMILES: CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21

SELFIES: [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O]

InChI: InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3

Molecular Properties:
- Polar Surface Area: 71.9 Ų
- LogP: 2.8