Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(CN(CCOC2=CC=C(CCC(O)=O)C=C2)C2=NC3=CC=CC=C3S2)C=C1

InChIKey

InChIKey=FDQATLLJBRABRJ-UHFFFAOYSA-N

Formula

C29H32N2O3S

Mass

488.65

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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 heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Phenylpropane - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Dialkylarylamine - Benzylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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

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