Compound Identification
SMILES
CC1=C(N=C(S1)N1C[C@H](CC1=O)C(=O)OCC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JOIQKOFYXLNRGS-SFHVURJKSA-N
Formula
C23H20N2O4S
Mass
420.48
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
-
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
2,4,5-trisubstituted thiazoles Aryl alkyl ketones Benzoyl derivatives Oxoprolines Pyrrolidine carboxylic acids Alpha-acyloxy ketones Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Tertiary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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