Compound Identification
SMILES
COC(=O)C1=CC=C(C=CC2=C(SC(NC(C)=O)=N2)C2=CC=C(SC)C=C2)C=C1
InChIKey
InChIKey=KXOUPXDMSQTXDJ-UHFFFAOYSA-N
Formula
C22H20N2O3S2
Mass
424.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
N-acetylarylamines Thiophenol ethers Styrenes Benzoyl derivatives 2,4,5-trisubstituted thiazoles Alkylarylthioethers Methyl esters Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - N-acetylarylamine - Styrene - Thiophenol ether - N-arylamide - Benzoyl - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Alkylarylthioether - Acetamide - Heteroaromatic compound - Thiazole - Methyl ester - Azole - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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