Compound Identification
SMILES
COC1=C(COC(=O)C=CC2=NC3=CC=CC=C3S2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=NCQKLITXSDRJAG-UHFFFAOYSA-N
Formula
C20H17NO4S
Mass
367.42
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
Benzyloxycarbonyls Acetophenones Benzothiazoles Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Fatty acid esters Thiazoles Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzyloxycarbonyl - Acetophenone - 1,3-benzothiazole - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen 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