Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC(Br)=C(OCC3=CC(Cl)=C(Cl)C=C3)C=C2)C(=O)N1C
InChIKey
InChIKey=JRJXECDGVDURAH-UHFFFAOYSA-N
Formula
C26H19BrCl2N2O4S
Mass
606.31
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
Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Thiazolidines Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Methyl ester - Thiazolidine - Isothiourea - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - 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