Compound Identification
SMILES
COC1=C(OCC([O-])=O)C=C(Br)C(\C=C2/SC3=NC4=CC=CC=C4N3C2=O)=C1
InChIKey
InChIKey=CJELNMKISFKFHO-APSNUPSMSA-M
Formula
C19H12BrN2O5S
Mass
460.28
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
Benzimidazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Thiazoles Heteroaromatic compounds Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - N-substituted imidazole - Aryl halide - Heteroaromatic compound - Imidazole - Thiazole - Azole - Carboxylic acid salt - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteropolycyclic 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