Compound Identification
SMILES
C[C@H](OC(=O)COC1=CC=C(F)C=C1)C1=NC2=C(C3=C(C[C@@H](C)CC3)S2)C(=O)N1
InChIKey
InChIKey=UFBSULFCOVIFMK-RYUDHWBXSA-N
Formula
C21H21FN2O4S
Mass
416.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Thienopyrimidines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Fluorobenzenes Aryl fluorides Thiophenes Heteroaromatic compounds Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Thienopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available