Molecule ID: 47759

IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[butoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate

Description: The molecule is a carbamate ester and a member of 1-benzofurans. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide and an agrochemical.

SMILES: CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2

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

InChI: InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: 4.7