Molecule ID: 91756

IUPAC Name: methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate

Description: The molecule is a methyl ester resulting from the formal condensation of the carboxy group of ethametsulfuron with methanol. A herbicide used for the control of broad-leaved weeds in oil seed rape and fodder rape. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a diamino-1,3,5-triazine, a N-sulfonylurea, an aromatic ether, a benzoate ester and a methyl ester. It derives from an ethametsulfuron.

SMILES: CCOc1nc(=NC)nc(N=C(O)NS(=O)(=O)c2ccccc2C(=O)OC)[nH]1

SELFIES: [C][C][O][C][=N][C][=Branch1][Ring1][=N][C][N][=C][Branch2][Ring1][N][N][=C][Branch1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][NH1][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: 1.8