Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC1=C(SC=C1)C(=C/CCN1CCC=C(C1)C(O)=O)\C1=CC(Cl)=CC(Cl)=C1

InChIKey

InChIKey=GDMUJJSLZCDMCL-ZYQHVCNLSA-M

Formula

C21H21Cl3NO2S

Mass

457.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Not available

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkaloid or derivatives - 1,3-dichlorobenzene - Styrene - Halobenzene - Chlorobenzene - Hydropyridine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

External Descriptors

Not available

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