Compound Identification
SMILES
OC(=O)[C@@H]1CS[C@@H](N1C(=O)COCC#C)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=HSOPQIBGAHFVJI-SWLSCSKDSA-N
Formula
C16H15NO5S
Mass
333.36
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
N-acyl-L-alpha-amino acids Aryl alkyl ketones Benzoyl derivatives Thiazolidines Tertiary carboxylic acid amides Acetylides Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-l-alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Acetylide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Organoheterocyclic compound - Hemithioaminal - Thioether - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen 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