Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)N(CC2=CC=CC=N2)C2=NC3=C(S2)C=CC(Cl)=C3C)C=C1
InChIKey
InChIKey=MEIJXXWQQAOJAZ-UHFFFAOYSA-N
Formula
C25H22ClN3O3S
Mass
479.98
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 Benzothiazoles Anisoles Phenoxy compounds Styrenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - 1,3-benzothiazole - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl chloride - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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