Compound Identification
SMILES
COC(=O)C1=C(NC(=S)NC1CCC1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=VHLZBSPZVORYFG-UHFFFAOYSA-N
Formula
C21H19F3N2O2S
Mass
420.45
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
Trifluoromethylbenzenes Hydropyrimidine carboxylic acids and derivatives 2-Thiopyrimidines Pyrimidinethiones Vinylogous amides Enoate esters Methyl esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Trifluoromethylbenzene - Hydropyrimidine carboxylic acid derivative - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous amide - Thiourea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl halide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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