Structure Information
Structure

Compound Identification

SMILES

CN1C=CC2=C1C=CC(=C2)C1=CC(SC2=C(Cl)C(Cl)=C(\C=C\C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)C(=C2)C2=CC3=C(C=C2)N(C)C=C3)=C(Cl)C(Cl)=C1\C=C\C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C

InChIKey

InChIKey=AYLIIZOVMMFEJV-RGYZSBFTSA-N

Formula

C56H56Cl4N6O6S

Mass

1082.96

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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 - Diarylthioether - N-alkylindole - Indole - Indole or derivatives - Piperazine-1-carboxylic acid - Aryl thioether - 1,2-dichlorobenzene - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Thiophenol ether - Pyrrolidine carboxylic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - N-methylpyrrole - Benzenoid - Piperazine - Substituted pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carbamic acid ester - Pyrrole - Heteroaromatic compound - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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