Compound Identification
SMILES
CCN1C(=O)CS\C1=C(/C#N)C(=O)NC(C)(C)CO
InChIKey
InChIKey=QABXXQBUHYXLSN-DHZHZOJOSA-N
Formula
C12H17N3O3S
Mass
283.35
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 Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Vinylogous thioester - Tertiary carboxylic acid amide - Thiazolidine - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic 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