Compound Identification
SMILES
CCOC(=O)C1=C(C)N2C(SC[C@]2(O)C(C)(C)C)=C(C#N)[C@@H]1C1=CC=C(C=C1)C(=O)OC
InChIKey
InChIKey=LBIQUSKUSUEYSU-CYFREDJKSA-N
Formula
C24H28N2O5S
Mass
456.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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 Dicarboxylic acids and derivatives Vinylogous amides Thiazolidines Methyl esters Enoate esters Ketene acetals Nitriles Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Dihydropyridine - Dicarboxylic acid or derivatives - Thiazolidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ketene acetal or derivatives - Alkanolamine - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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