Structure Information
Structure

Compound Identification

SMILES

CCN(CC(=O)OC)C1=C(Cl)C=C(N=NC2=NC3=CC(Cl)=C(Cl)C=C3S2)C(NC(C)=O)=C1

InChIKey

InChIKey=UHRYODLWZHLKRM-UHFFFAOYSA-N

Formula

C20H18Cl3N5O3S

Mass

514.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - P-haloacetanilide - Haloacetanilide - Acetanilide - Anilide - 1,3-benzothiazole - N-acetylarylamine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Acetamide - Thiazole - Methyl ester - Secondary carboxylic acid amide - Tertiary amine - Azo compound - Carboxylic acid ester - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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