Molecule ID: 9571009

IUPAC Name: [(E)-3-methylsulfonylbutan-2-ylideneamino] N-methylcarbamate

Description: The molecule is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide and an agrochemical.

SMILES: CN=C(O)O/N=C(\C)C(C)S(C)(=O)=O

SELFIES: [C][N][=C][Branch1][C][O][O][/N][=C][Branch1][C][\C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]

InChI: InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+

Molecular Properties:
- Polar Surface Area: 93.2 Ų
- LogP: -0.1