Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=C(Br)C=C(F)C(=C2)N2C(=O)C=C(N(C)C2=O)C(F)(F)F)S1
InChIKey
InChIKey=GSTZKONJWKOAJG-UHFFFAOYSA-N
Formula
C19H13BrF4N2O5S
Mass
537.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Pyrimidones 2,5-disubstituted thiophenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Hydropyrimidines Vinylogous amides Methyl esters Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Halobenzene - 2,5-disubstituted thiophene - Fluorobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Aryl fluoride - Aryl halide - Hydropyrimidine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Lactam - Carboxylic acid ester - Urea - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available