Compound Identification
SMILES
CC1CCC2=C(C1)SC1=C2C(=O)NC(COC(=O)C2=CC=CC=C2N\C=C\C(=O)C(F)(F)F)=N1
InChIKey
InChIKey=BGMPDPNVJGZZHU-CMDGGOBGSA-N
Formula
C23H20F3N3O4S
Mass
491.49
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
Aminobenzoic acids and derivatives Thienopyrimidines Aniline and substituted anilines Benzoyl derivatives Pyrimidones Acryloyl compounds Alpha-haloketones Vinylogous amides Thiophenes Enones Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Enamines Allylamines Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Thienopyrimidine - Benzoyl - Aniline or substituted anilines - Pyrimidone - Pyrimidine - Enone - Alpha-haloketone - Acryloyl-group - Thiophene - Alpha,beta-unsaturated ketone - Vinylogous amide - Heteroaromatic compound - Ketone - Carboxylic acid ester - Lactam - Allylamine - Enamine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic 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