Compound Identification
SMILES
CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)COCC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=VLAJEFWEJOEUCD-UHFFFAOYSA-N
Formula
C21H20N2O5S
Mass
412.46
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
Benzothiazoles Benzoyl derivatives Aryl alkyl ketones Alpha-acyloxy ketones Thiazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,3-benzothiazole - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Acetamide - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen 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