Compound Identification
SMILES
CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(F)C=C1
InChIKey
InChIKey=BTWXTTWKHWYLRA-UHFFFAOYSA-N
Formula
C20H18FNO3S2
Mass
403.49
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
Thiophenol ethers Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Toluenes Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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