Compound Identification
SMILES
CC1=CC=CC=C1SC1=C(C=C(\C=C\C(=O)N2CCOCC2)C=C1)C(F)(F)F
InChIKey
InChIKey=LEWWARBDLZDZMJ-VQHVLOKHSA-N
Formula
C21H20F3NO2S
Mass
407.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Diarylthioethers Trifluoromethylbenzenes Thiophenol ethers Styrenes Toluenes Morpholines Tertiary carboxylic acid amides Azacyclic compounds Dialkyl ethers Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Trifluoromethylbenzene - Aryl thioether - Styrene - Thiophenol ether - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available