Compound Identification
SMILES
CC1=NC2=C(S1)C(OC(C(O)=O)C1=C(C)N=C(S1)C1=CC=C(C=C1)C(F)(F)F)=CC=C2
InChIKey
InChIKey=LPVXDOXPYCASDS-UHFFFAOYSA-N
Formula
C21H15F3N2O3S2
Mass
464.48
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
Trifluoromethylbenzenes Benzothiazoles 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - 1,3-benzothiazole - 2,4,5-trisubstituted 1,3-thiazole - Alkyl aryl ether - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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