Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C(SC=C1)C(=O)N\N=C/C1=CC=CC=C1OCC([O-])=O
InChIKey
InChIKey=LITLGUKRKFVSSJ-UUYOSTAYSA-M
Formula
C21H17N2O4S
Mass
393.44
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
Thiophene carboxamides Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Toluene - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic anion - 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