Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=C(C=CC=N2)C([O-])=O)O1
InChIKey
InChIKey=ZGQLCJJTEAWVEQ-UHFFFAOYSA-M
Formula
C13H10NO5S
Mass
292.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridinecarboxylic acids and derivatives
- Level 5 Pyridinecarboxylic acids
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Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Furoic acid esters Alkylarylthioethers Vinylogous thioesters Methyl esters Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid ester - Pyridine carboxylic acid - Furoic acid or derivatives - Aryl thioether - Alkylarylthioether - Vinylogous thioester - Methyl ester - Furan - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid - Thioether - Carboxylic acid derivative - Sulfenyl compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors
Not available