Compound Identification
SMILES
NC1=NC2=C(S1)C=C(C=C2)C1=C(OCC2=CC=C(C=C2)C(F)(F)F)C=CC(CCC(O)=O)=C1
InChIKey
InChIKey=OUNDSKAIFXEPJG-UHFFFAOYSA-N
Formula
C24H19F3N2O3S
Mass
472.48
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 Benzothiazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Primary amines Organic oxides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Trifluoromethylbenzene - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic 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