Compound Identification
SMILES
OC1=C(C(N(C2=NC=CS2)C1=O)C1=CC=C(Cl)C=C1)C(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=RPIWRCPCUMCMOU-UHFFFAOYSA-N
Formula
C22H15ClN2O3S
Mass
422.88
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
Phenylpyrrolines Styrenes Chlorobenzenes Aryl chlorides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Acryloyl compounds Enones Heteroaromatic compounds Lactams Ketones Enols Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrroline - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Pyrrole - Pyrroline - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Alpha,beta-unsaturated ketone - Lactam - Ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Enol - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - 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