Compound Identification
SMILES
CSC1=C(C#N)C(=CC(=N1)C1CC1)C(=O)OCC(=O)C1=CC2=C(OCC2)C=C1
InChIKey
InChIKey=SGHBNUQROUDUOI-UHFFFAOYSA-N
Formula
C21H18N2O4S
Mass
394.45
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
Coumarans Aryl alkyl ketones 3-pyridinecarbonitriles Alkylarylthioethers Alkyl aryl ethers Benzenoids Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid - Coumaran - Aryl thioether - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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