Compound Identification
SMILES
CCN1C(=O)C(SC1=NC1=CC=CC(=C1)C(=O)OC)=CC1=CC(Br)=C(O)C(Br)=C1
InChIKey
InChIKey=KYADBTVMAWJPES-UHFFFAOYSA-N
Formula
C20H16Br2N2O4S
Mass
540.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Thiazolidines Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Methyl ester - Thiazolidine - Carboxylic acid ester - Isothiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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