Compound Identification
SMILES
CCNC(=O)\C=C1/CSC2=C(CCN12)C(=O)OC(C)C
InChIKey
InChIKey=NEFWPIRTLNQTCF-JXMROGBWSA-N
Formula
C14H20N2O3S
Mass
296.39
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 Thiazolidines Pyrrolines Enoate esters Secondary carboxylic acid amides Ketene acetals Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Vinylogous thioester - Pyrroline - Thiazolidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - 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