Compound Identification
SMILES
CC1=C(COC2=CC(C)=C(CCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=RSLROHSQFVXOLQ-UHFFFAOYSA-N
Formula
C22H20F3NO3S
Mass
435.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Trifluoromethylbenzenes Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Toluenes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available