Compound Identification
SMILES
CC1=C(SC(N1)=C1C=CC(=O)C=C1)C(=O)\C=C\C1=CC=C(C=C1)C#N
InChIKey
InChIKey=CEPDUYLKNOOJFS-IZZDOVSWSA-N
Formula
C20H14N2O2S
Mass
346.4
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 P-quinomethanes Benzonitriles Vinylogous amides Thiazolines Enones Acryloyl compounds Thioenol ethers Ketene acetals Nitriles Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzonitrile - P-quinomethane - Quinomethane - Styrene - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Meta-thiazoline - Alpha,beta-unsaturated ketone - Vinylogous amide - Cyclic ketone - Thioenolether - Ketene acetal or derivatives - Ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Enamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Cyanide - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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