Compound Identification
SMILES
NC(=O)C1SCC(=O)C2=C1C1=C(C=CC=C1OCC(O)=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=HGMQBTFWKOUCIR-UHFFFAOYSA-N
Formula
C21H18N2O5S
Mass
410.44
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
N-alkylindoles 3-alkylindoles Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Primary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Ketone - Primary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Dialkylthioether - Thioether - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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