Compound Identification
SMILES
CCCC1=C(OCCCSC2=NC3=C(N2)C=C(C=C3)C(O)=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=UUZDIQJWFYJFML-UHFFFAOYSA-N
Formula
C22H24N2O5S
Mass
428.5
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
-
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
Acetophenones Phenylpropanes Benzimidazoles Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Vinylogous acids Imidazoles Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Benzimidazole - Acetophenone - Phenol ether - Aryl alkyl ketone - Benzoyl - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Phenol - Alkylarylthioether - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Imidazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic 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