Compound Identification
SMILES
CCOC(=O)C1=C(NC(C)=O)SC2CCCCC12
InChIKey
InChIKey=HOSQDRNKEXSCMM-UHFFFAOYSA-N
Formula
C13H19NO3S
Mass
269.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
- Class Vinylogous thioesters
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Vinylogous thioesters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Vinylogous thioesters
Alternative Parents
Vinylogous amides Enoate esters Dihydrothiophenes Acetamides Secondary carboxylic acid amides Ketene acetals Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Vinylogous thioester - 2,3-dihydrothiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Ketene acetal or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vinylogous thioesters. These are organic compounds containing a thioester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
External Descriptors
Not available