Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=C(C#N)C(C3=CN=CC=C3)C3=C(CCCC3=O)N2)C=C1
InChIKey
InChIKey=IANVOXYMEKVDSG-UHFFFAOYSA-N
Formula
C24H21N3O3S
Mass
431.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Dihydropyridines Cyclohexenones Vinylogous amides Methyl esters Heteroaromatic compounds Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Dihydropyridine - Cyclohexenone - Pyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available