Compound Identification
SMILES
CCCCCCOC(=O)C(C#N)=C1SC(O)C(O)S1
InChIKey
InChIKey=NDEJHEFRVLJFPK-UHFFFAOYSA-N
Formula
C12H17NO4S2
Mass
303.39
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
Enoate esters 1,3-dithiolanes Ketene acetals Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Vinylogous thioester - Dithiolane - 1,3-dithiolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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