Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=CC(OCC)=C(OC)C(Br)=C2)C#N)S1
InChIKey
InChIKey=PTHTUWDTSDPGSN-UHFFFAOYSA-N
Formula
C25H26BrNO7S
Mass
564.45
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 Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Acryloyl compounds Enones Heteroaromatic compounds Ketones Carboxylic acid esters Nitriles Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiophene carboxylic acid or derivatives - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Acryloyl-group - Enone - Thiophene - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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