Compound Identification
SMILES
COC(=O)C1=CC=C(C[C@H]2SC(=C(F)N2F)C2=CC(NC3=NC=CC(=N3)C(F)(F)F)=CC(C)=C2)C=C1
InChIKey
InChIKey=RFHFTNMIBARDLA-LJQANCHMSA-N
Formula
C24H19F5N4O2S
Mass
522.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Aniline and substituted anilines Benzoyl derivatives Toluenes Aminopyrimidines and derivatives Thiazolines Methyl esters Heteroaromatic compounds Thioenol ethers Vinyl fluorides Azacyclic compounds Fluoroalkenes Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Toluene - Pyrimidine - Heteroaromatic compound - Meta-thiazoline - Methyl ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Vinyl fluoride - Vinyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Alkyl halide - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available