Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C1=C(NC(C)=O)SC2=C1CCCC2
InChIKey
InChIKey=VWASMLZQJOFIII-UHFFFAOYSA-N
Formula
C22H25NO4S
Mass
399.51
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
Phenylpropanes N-acetylarylamines Thiophene carboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Vinylogous amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-acetylarylamine - Phenylpropane - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Acetamide - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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