Compound Identification
SMILES
COC1=CC=C(CN(C)C(=O)COC(=O)C2=CC(=NC(SC)=C2C#N)C2CC2)C=C1
InChIKey
InChIKey=VFHQFCWMDQSUQQ-UHFFFAOYSA-N
Formula
C22H23N3O4S
Mass
425.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
- Level 5 Pyridinecarboxylic acids
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Subclass
Pyridinecarboxylic acids and derivatives
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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
3-pyridinecarbonitriles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Nitriles Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Anisole - Phenol ether - 3-pyridinecarbonitrile - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - 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