Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(\C=C\C(=O)N2CCC(CC2)C2=NC(=CS2)C2=CC(Cl)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=YIBRRTFWRPQGRT-VMPITWQZSA-N
Formula
C25H23Cl3N2O3S
Mass
537.88
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
Dimethoxybenzenes N-acylpiperidines Styrenes Phenoxy compounds Anisoles Dichlorobenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - N-acyl-piperidine - Phenoxy compound - Anisole - 1,2-dichlorobenzene - Methoxybenzene - Phenol ether - Styrene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Piperidine - Azole - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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