Compound Identification
SMILES
C=C1[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)S[C@@H]1N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O
InChIKey
InChIKey=PKCDAGUCOSZNAH-YIOBJHAYSA-N
Formula
C31H25N3O6S
Mass
567.62
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
Benzamides Benzoyl derivatives Pyrimidones Imidolactams Hydropyrimidines Thiolanes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Dialkylthioethers Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzamide - Benzoyl - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thioether - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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