Compound Identification
SMILES
CCOC(=O)C1=C(NC(SC)=C(C#N)C1C1=CC=C(Cl)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=HEVWJPLZDVHWGD-UHFFFAOYSA-N
Formula
C22H19ClN2O2S
Mass
410.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available