Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC(Br)=C(O)C(Br)=C2)C(=O)N1CC
InChIKey
InChIKey=IUTXAMCDOUZXBM-UHFFFAOYSA-N
Formula
C21H18Br2N2O4S
Mass
554.25
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
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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
O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Thiazolidines Isothioureas Carboxylic acid esters 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 - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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