Compound Identification
SMILES
CCOC(=O)C(=CC1=CC=C(OC(F)F)C=C1)C1=NN2C(SC1)=NN=C2C1=CC=C(Cl)C=C1
InChIKey
InChIKey=IHJCKBWPCNFLBM-UHFFFAOYSA-N
Formula
C22H17ClF2N4O3S
Mass
490.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Phenyl-1,2,4-triazoles Phenoxy compounds Phenol ethers Alkylarylthioethers Chlorobenzenes Fatty acid esters Aryl chlorides Enoate esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Phenyltriazole - Phenyl-1,2,4-triazole - Phenol ether - Phenoxy compound - Aryl thioether - Halobenzene - Fatty acid ester - Alkylarylthioether - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - 1,2,4-triazole - Triazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available