Compound Identification
SMILES
COC(=O)C1=CC=CC=C1N\C=C(\C(=O)C1=CC=CS1)C(=O)C(F)(F)F
InChIKey
InChIKey=BGMRAPYLDWJQLQ-LUAWRHEFSA-N
Formula
C17H12F3NO4S
Mass
383.34
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 Aniline and substituted anilines Aryl ketones Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Vinylogous amides Alpha-haloketones Thiophenes Methyl esters Enones Heteroaromatic compounds Allylamines Enamines Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Aryl ketone - Aniline or substituted anilines - Benzoyl - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Thiophene - Methyl ester - Alpha-haloketone - Alpha,beta-unsaturated ketone - Acryloyl-group - Heteroaromatic compound - Vinylogous amide - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Organoheterocyclic compound - Allylamine - 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 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