Compound Identification
SMILES
COC(=O)C1=NC(=S)N=C(C(=O)OC)C1(C)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NMWYSKMBVYVDQO-UHFFFAOYSA-N
Formula
C16H13ClN2O5S
Mass
380.8
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
Hydropyrimidine carboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Pyrimidinethiones Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organosulfur compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Hydropyrimidine carboxylic acid derivative - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - Halobenzene - Pyrimidinethione - Chlorobenzene - 2,5-dihydropyrimidine - Keto acid - Dicarboxylic acid or derivatives - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Hydropyrimidine - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - 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