Compound Identification
SMILES
CCC1(C(=O)C2=CC=CC=C2)C(=NC(=S)N=C1C(=O)OC)C(=O)OC
InChIKey
InChIKey=HAMKWHNRTMEUQS-UHFFFAOYSA-N
Formula
C17H16N2O5S
Mass
360.38
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 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 - Butyrophenone - Hydropyrimidine carboxylic acid derivative - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Pyrimidinethione - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyrimidine - Hydropyrimidine - 2,5-dihydropyrimidine - Keto acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen 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