Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC=CC=C2OCC2=CC=C(Br)C=C2)C(=O)N1CC
InChIKey
InChIKey=KIMSQMPGTPKUEV-UHFFFAOYSA-N
Formula
C28H25BrN2O4S
Mass
565.48
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
Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Isothioureas Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - 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