Compound Identification
SMILES
COC(=O)C1=NC(=S)N=C(C(=O)OC)C1(C)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=LMKKEZLRGQPMFT-UHFFFAOYSA-N
Formula
C16H14N2O5S
Mass
346.36
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
Hydropyrimidine carboxylic acids and derivatives Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Pyrimidinethiones Dicarboxylic acids and derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Hydropyrimidine carboxylic acid derivative - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Pyrimidinethione - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Hydropyrimidine - 2,5-dihydropyrimidine - Keto acid - Pyrimidine - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur 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