Compound Identification
SMILES
COCCCN(CC(=O)N1CCC2=C(C=CS2)C1C1=C(Cl)C=C(Cl)C=C1)C(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=WHGXYIAJNRKJCW-UHFFFAOYSA-N
Formula
C28H28Cl2N2O3S
Mass
543.5
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
Alpha amino acids and derivatives Thienopyridines Styrenes Dichlorobenzenes Pyridines and derivatives Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Organochlorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Thienopyridine - Styrene - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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