Compound Identification
SMILES
NC(=O)C(C(=O)C=CC1=C(Cl)C=CC=C1Cl)=C1SCS1
InChIKey
InChIKey=PBNXGQYDNDAMCY-UHFFFAOYSA-N
Formula
C13H9Cl2NO2S2
Mass
346.24
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 Dichlorobenzenes Vinylogous thioesters Fatty amides Aryl chlorides Enones Acryloyl compounds Primary carboxylic acid amides Ketones Ketene acetals Dithietanes Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Fatty acyl - Benzenoid - Fatty amide - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ketene acetal or derivatives - Carboxamide group - Primary carboxylic acid amide - Dithietane - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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