Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(SCC#C)N2C(=O)C=CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=FORXJDZUMDTZDK-UHFFFAOYSA-N
Formula
C21H17ClN2O2S
Mass
396.89
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
Benzimidazoles Styrenes Alkyl aryl ethers Alkylarylthioethers Carbonylimidazoles N-acylimidazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Acetylides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzimidazole - Aryl thioether - Styrene - N-acylimidazole - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Imidazole-1-carbonyl group - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Acetylide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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