Compound Identification
SMILES
COC(=O)C1=C(NC(=O)COC(=O)C2=CC=C(CO)C=C2)SC2=C1CCCC2
InChIKey
InChIKey=XFEFSRYOSJHUCH-UHFFFAOYSA-N
Formula
C20H21NO6S
Mass
403.45
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
Thiophene carboxylic acids and derivatives N-arylamides Benzyl alcohols Benzoyl derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Benzyl alcohol - Thiophene carboxylic acid or derivatives - N-arylamide - Heteroaromatic compound - Thiophene - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - 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