Compound Identification
SMILES
CC[C@@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C1=C(NC(C)=O)SC(C)=C1C
InChIKey
InChIKey=NIBBBCQYHHWZPF-GFCCVEGCSA-N
Formula
C21H25NO4S
Mass
387.49
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
Monocyclic monoterpenoids Aromatic monoterpenoids 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 heteromonocyclic compounds
Substituents
Alkyl-phenylketone - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - N-acetylarylamine - Phenylpropane - Benzoyl - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - N-arylamide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Acetamide - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen 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