Compound Identification
SMILES
CCOC1=CC=C(NC2=NC(C)=C(S2)C(=O)C=CC2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=QYXSTIHICCBGGU-UHFFFAOYSA-N
Formula
C21H18Cl2N2O2S
Mass
433.35
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
Styrenes 2,4,5-trisubstituted thiazoles Phenoxy compounds Phenol ethers Aniline and substituted anilines Aryl ketones Dichlorobenzenes Alkyl aryl ethers 2-amino-1,3-thiazoles Aryl chlorides Acryloyl compounds Heteroaromatic compounds Enones Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Styrene - Aryl ketone - Aniline or substituted anilines - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Azole - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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