Compound Identification
SMILES
OC(=O)C(CC1=CC=C(OCCN2C(=O)SC3=C2C=CC(CC2=CC=CC=C2Cl)=C3)C=C1)C(O)=O
InChIKey
InChIKey=YDBVAIQFRJLUKM-UHFFFAOYSA-N
Formula
C26H22ClNO6S
Mass
511.97
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
Benzothiazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes 1,3-dicarbonyl compounds Aryl chlorides Dicarboxylic acids and derivatives Thiazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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