Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)N(CC=C)C1=C(SC(=C1)C1=CC=C(\C=C\C(O)=O)C=C1)C(O)=O

InChIKey

InChIKey=PZYHUEQXTFETRW-MDWZMJQESA-N

Formula

C25H21NO5S

Mass

447.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Thiophene - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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