Molecule ID: 38409

IUPAC Name: 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid

Description: The molecule is an aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis. It has a role as a loop diuretic, an antihypertensive agent and a hepatotoxic agent. It is a member of thiophenes, an aromatic ketone, an aromatic ether, a monocarboxylic acid and a dichlorobenzene.

SMILES: O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl

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

InChI: InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: 4.1