Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CN1N=C(N2C=NC(C)=C2C1=O)S(=O)C(Cl)C1=CC=CC=C1

InChIKey

InChIKey=YLEMWAZYLPKYIB-UHFFFAOYSA-N

Formula

C17H17ClN4O4S

Mass

408.86

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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 - Benzyl sulfoxide - Monocyclic benzene moiety - N-substituted imidazole - 1,2,4-triazine - Triazine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Lactam - Sulfoxide - Sulfinyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen 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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