Compound Identification
SMILES
CCOC1=C(OCC([O-])=O)C=CC(\C=C2\SC3=NC4=CC=CC=C4N3C2=O)=C1
InChIKey
InChIKey=DWEMPTKAHUIAGB-LICLKQGHSA-M
Formula
C20H15N2O5S
Mass
395.41
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 Phenol ethers Alkyl aryl ethers N-substituted imidazoles Thiazoles Heteroaromatic compounds Carboxylic acid salts Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiazole - Carboxylic acid salt - Lactam - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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