Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC(OC)=C(OCC(=O)OC)C(Br)=C2)C(=O)N1CC
InChIKey
InChIKey=YBLBIUBUKROJCZ-UHFFFAOYSA-N
Formula
C25H25BrN2O7S
Mass
577.45
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 Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolidines Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Methyl ester - Thiazolidine - Carboxylic acid ester - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen 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