Compound Identification
SMILES
CCOC(=O)C1C2=C(CCC1=O)SC(C)=N2
InChIKey
InChIKey=PIAXLHXFQAJYAU-UHFFFAOYSA-N
Formula
C11H13NO3S
Mass
239.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
- Level 5 1,3-dicarbonyl compounds
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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
Not available
Direct Parent
1,3-dicarbonyl compounds
Alternative Parents
Thiazoles Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-dicarbonyl compound - Azole - Thiazole - Heteroaromatic compound - Cyclic ketone - Ketone - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
External Descriptors
Not available