Compound Identification
SMILES
COC(=O)C1=C(NC(=O)\C=C\C2=CC=C(Br)C=C2)SC=C1C1=CC=C(F)C=C1
InChIKey
InChIKey=CMECKLOVLQQDCT-NYYWCZLTSA-N
Formula
C21H15BrFNO3S
Mass
460.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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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 amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
N-arylamides Thiophene carboxylic acids and derivatives Styrenes Bromobenzenes Fluorobenzenes Aryl fluorides Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid amide - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Halobenzene - Fluorobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Methyl ester - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available