Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(C)OC(=O)C2=CC=C(NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)SC2=C1CCCC2
InChIKey
InChIKey=GEARXGWCZGWGHE-UHFFFAOYSA-N
Formula
C25H25ClN2O7S3
Mass
597.11
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
Sulfanilides Thiophene carboxylic acids and derivatives N-arylamides Benzoyl derivatives 2,5-disubstituted thiophenes Organosulfonamides Aryl chlorides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Sulfanilide - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Thiophene - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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