Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Cl)=C(C=CC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2=CC=C(S2)C(C)=O)C=C1

InChIKey

InChIKey=OSYBHBQCNXCOFO-UHFFFAOYSA-N

Formula

C26H29ClN2O5S

Mass

517.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Azaspirodecane - N-acyl-piperidine - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - Methoxybenzene - Thiophene carboxamide - Styrene - Aryl alkyl ketone - Aryl ketone - N-acylpyrrolidine - Phenol ether - Anisole - Phenoxy compound - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Pyrrolidine - Thiophene - Heteroaromatic compound - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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