Compound Identification
SMILES
CCOC(=O)CC1=CSC(S1)=C(C#N)C(=O)OCC
InChIKey
InChIKey=HUUBQSDMMNHPDK-UHFFFAOYSA-N
Formula
C12H13NO4S2
Mass
299.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dicarboxylic acids and derivatives
Alternative Parents
Vinylogous thioesters Enoate esters 1,3-dithioles Thioenol ethers Ketene acetals Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Dicarboxylic acid or derivatives - Vinylogous thioester - 1,3-dithiole - Dithiole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Thioenolether - Ketene acetal or derivatives - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors
Not available