Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=C(O)C(=CC(=C1)C1(C=CC=N1)C(C(O)=O)C1=CSC=N1)C(C)(C)CO

InChIKey

InChIKey=XVDRRAOZDGVYLB-UHFFFAOYSA-N

Formula

C23H28N2O4S

Mass

428.55

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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 heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Phenylpropane - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Carbonyl group - Alcohol - 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

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