Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=NC(COC(=O)CCC(=O)C2=CC=CC=C2)=CS1
InChIKey
InChIKey=AXGYOLBSNFHLJY-UHFFFAOYSA-N
Formula
C20H16ClNO3S
Mass
385.86
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
Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives 2,4-disubstituted thiazoles Chlorobenzenes Fatty acid esters Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Keto acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - 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