Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C#N)=C(CC(=O)C(=CC2=CC(OC)=C(OCC3=C(Cl)C=C(Cl)C=C3)C=C2)C#N)S1
InChIKey
InChIKey=QYRBQOPZOCHFAL-UHFFFAOYSA-N
Formula
C28H22Cl2N2O5S
Mass
569.45
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 Dichlorobenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Enones Heteroaromatic compounds Carboxylic acid esters Ketones Nitriles Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Phenol ether - Thiophene carboxylic acid or derivatives - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Thiophene - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Nitrile - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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