Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C1=CSC(=N1)N1CCCC1C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=MTPDBPKFWDCGJO-UHFFFAOYSA-N

Formula

C21H19BrN2O2S

Mass

443.36

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Proline or derivatives - Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - 1,3-thiazol-2-amine - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Pyrrolidine - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organobromide - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic 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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