Compound Identification
SMILES
CC1=NC(SC(=CC2=CC=C(OCC3=CC(Cl)=CC=C3)C=C2)C(O)=O)=NN1
InChIKey
InChIKey=KLDXCFRUFCRKAP-UHFFFAOYSA-N
Formula
C19H16ClN3O3S
Mass
401.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Phenoxy compounds Phenol ethers Aryl thioethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Thioenolether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available