Compound Identification
SMILES
CN(CC(=O)C1=CC(O)=C(O)C=C1)C(=O)CN1C(=O)S\C(=C/C2=CC=C(F)C=C2)C1=O
InChIKey
InChIKey=WJWFMZYHOBSUDB-LSCVHKIXSA-N
Formula
C21H17FN2O6S
Mass
444.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Alpha amino acids and derivatives Aryl alkyl ketones Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids Thiazolidinediones 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Catechol - Aryl alkyl ketone - Benzoyl - Fluorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Thiazolidinedione - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Thiazolidine - Tertiary carboxylic acid amide - Dicarboximide - Carboxamide group - Thiocarbamic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available