Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

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

Previous Back Next