Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C1SC23C=CC=CC2=NCCC3C1C(O)=O
InChIKey
InChIKey=KLJHNXIZWDGVGK-UHFFFAOYSA-N
Formula
C20H19NO4S
Mass
369.44
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
Phenoxy compounds Methoxybenzenes Anisoles Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Tetrahydropyridines Alkyl aryl ethers Thiolanes Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Gamma-keto acid - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Tetrahydropyridine - Monocyclic benzene moiety - Keto acid - Benzenoid - Thiolane - Ketimine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Dialkylthioether - Thioether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Imine - 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