Molecule ID: 9576091

IUPAC Name: ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate

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

SMILES: CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)O/N=C(/C)SC

SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][O][/N][=C][Branch1][C][/C][S][C]

InChI: InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: 3.4