Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=C(OCC=C)C=CC(Br)=C2)C#N)S1
InChIKey
InChIKey=ZJVLUADJLITWNT-UHFFFAOYSA-N
Formula
C25H24BrNO6S
Mass
546.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Acryloyl compounds Heteroaromatic compounds Enones Ketones Carboxylic acid esters Nitriles Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Thiophene - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available