Molecule ID: 5372405

IUPAC Name: propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

Description: The molecule is a phosphoramidate ester, an organophosphate insecticide and an isopropyl ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from an isopropyl 3-hydroxybut-2-enoate.

SMILES: CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C

SELFIES: [C][C][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][C][Branch1][C][C][C]

InChI: InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+

Molecular Properties:
- Polar Surface Area: 88.9 Ų
- LogP: 2.8