Compound Identification
SMILES
COC1=C(COC(=O)C2=CC(=NC3=CC=CC=C23)C2=CC=C(Cl)S2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=OYJSUDJPSYWYIH-UHFFFAOYSA-N
Formula
C24H18ClNO4S
Mass
451.92
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
Quinolines and derivatives Benzyloxycarbonyls Pyridinecarboxylic acids Acetophenones Phenoxy compounds Methoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives 2,5-disubstituted thiophenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzyloxycarbonyl - Quinoline - Acetophenone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Anisole - Phenoxy compound - Alkyl aryl ether - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen 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