Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(=CS2)C(=O)OCC(=O)C2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=GMUSUNZVGPUSQM-UHFFFAOYSA-N
Formula
C20H17ClN2O3S
Mass
400.88
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
o-Xylenes Thiazolecarboxylic acids and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Aniline or substituted anilines - Xylene - O-xylene - Halobenzene - Chlorobenzene - 2,4-disubstituted 1,3-thiazole - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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