Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC(=O)N2CCSC2C2=CC3=C(OCCO3)C=C2)C=C1
InChIKey
InChIKey=KCGBLZMRIUHGHT-UHFFFAOYSA-N
Formula
C21H22N2O5S
Mass
414.48
Taxonomic Classification
Taxonomy Tree
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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-phenylureas Benzo-1,4-dioxanes Benzoyl derivatives Alkyl aryl ethers Para dioxins Thiazolidines Ureas Carboxylic acid esters Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - N-phenylurea - Benzoyl - Alkyl aryl ether - Para-dioxin - Thiazolidine - Carboxylic acid ester - Urea - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Thioether - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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