Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)COC(=O)C1CN(C(=O)C1)C1=NC(=CS1)C1=CC=C(C)C=C1
InChIKey
InChIKey=CWGNYTVUCCALPQ-UHFFFAOYSA-N
Formula
C24H22N2O5S
Mass
450.51
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
Pyrrolidine carboxylic acids Phenoxy compounds Oxoprolines Methoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Toluenes 2,4-disubstituted thiazoles Alkyl aryl ethers Alpha-acyloxy ketones Pyrrolidine-2-ones Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Oxoproline - Benzoyl - Anisole - Phenoxy compound - Toluene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Alpha-acyloxy ketone - Monocyclic benzene moiety - 2-pyrrolidone - Benzenoid - Pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organonitrogen 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