Compound Identification
SMILES
CC(C)OC1=C(Cl)C=C(C=N1)C1=NC(=NS1)C1=C(C)C=C(CCC(O)=O)C=C1
InChIKey
InChIKey=IGBMWKRQOSRSKB-UHFFFAOYSA-N
Formula
C20H20ClN3O3S
Mass
417.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Toluenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Thiadiazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Aryl chloride - Pyridine - Aryl halide - Benzenoid - Thiadiazole - Heteroaromatic compound - Azole - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available