Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N=C2S\C(=C\C3=C(C)N(C(C)=C3)C3=CC=C(Cl)C=C3)C(=O)N2[C@H]1C1=C(OC)C=CC2=CC=CC=C12)C1=CC=CC=C1

InChIKey

InChIKey=HKAYRHDTCPBZNS-WUGQJGQESA-N

Formula

C39H32ClN3O4S

Mass

674.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid ester - 1-phenylpyrrole - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyrrole - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Heteroaromatic compound - Carboxylic acid ester - Isothiourea - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

External Descriptors

Not available

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