Compound Identification
SMILES
COC(=O)C(OC1=C(C=CC(OCC2=CSC=C2)=C1)C#N)C1=CC=CC=C1F
InChIKey
InChIKey=NWICKMXSCPBQAH-UHFFFAOYSA-N
Formula
C21H16FNO4S
Mass
397.42
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
Phenoxy compounds Phenol ethers Benzonitriles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Thiophenes Methyl esters Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen 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