Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC(OCC)=C(OCC(=O)OC)C(Br)=C2)C(=O)N1CC
InChIKey
InChIKey=GZBUXRUGYVOIPD-UHFFFAOYSA-N
Formula
C26H27BrN2O7S
Mass
591.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Methyl esters Isothioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Thiazolidine - Carboxylic acid ester - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - 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 phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available