Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1C(SC2=C1C=CC(NC(C)=O)=C2)=NC(=O)C1=C(Cl)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=IQHQRKWRDZZPBS-UHFFFAOYSA-N

Formula

C19H15ClN4O6S

Mass

462.86

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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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acetylarylamine - Nitrobenzene - Benzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - N-arylamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Methyl ester - Acetamide - Vinylogous halide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organohalogen 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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