Compound Identification
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]1S[C@H](CO)[C@@H](OC(=O)C2=CC=CC=C2)C1(F)F
InChIKey
InChIKey=DXACKODCKUSASQ-XPKDYRNWSA-N
Formula
C18H17F2N3O5S
Mass
425.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
N-acetylarylamines Benzoyl derivatives Pyrimidones Imidolactams Hydropyrimidines Thiolanes Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - N-acetylarylamine - Benzoyl - N-arylamide - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Acetamide - Thiolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Primary alcohol - Alkyl halide - Organic nitrogen compound - 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