Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC1=NC=CS1
InChIKey
InChIKey=FMPONECMWSJOOH-UHFFFAOYSA-N
Formula
C14H12N2O4S
Mass
304.32
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
Butyrophenones Anisoles Phenoxy compounds Aryl alkyl ketones N-arylamides Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Beta-diketones Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Anisole - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - 1,3-diketone - Fatty acyl - Fatty amide - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - 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