Compound Identification
SMILES
COC1=C(OC)C(OCC2CN(CCO2)C(=S)NCC2=CC=CO2)=C(C=C1)C(C)=O
InChIKey
InChIKey=GJOVNBLLGOGVPZ-UHFFFAOYSA-N
Formula
C21H26N2O6S
Mass
434.51
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
Dimethoxybenzenes Acetophenones Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Morpholines Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Acetophenone - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Morpholine - Benzenoid - Monocyclic benzene moiety - Oxazinane - Furan - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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