Compound Identification
SMILES
CC(C)OC(=O)C1=C2SC=C(CC([O-])=O)N2CC1C
InChIKey
InChIKey=OOHZNXPATWLEMQ-UHFFFAOYSA-M
Formula
C13H16NO4S
Mass
282.33
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 Vinylogous amides Thiazolines Pyrrolines Enoate esters Thioenol ethers Ketene acetals Carboxylic acid salts Enamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Dicarboxylic acid or derivatives - Vinylogous thioester - Pyrroline - Meta-thiazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid salt - Carboxylic acid ester - Ketene acetal or derivatives - Thioenolether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Enamine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Amine - Organic anion - Aliphatic heteropolycyclic 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