Compound Identification
SMILES
CCO[C@@H](CC1=C(C)C=C(OCC2=C(C)SC(=N2)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=QCSNJJQBEWVDRP-NRFANRHFSA-N
Formula
C23H24ClNO4S
Mass
445.96
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
Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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