Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC1=C(C#N)C(=NS1)N1CCN(CC1)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=MGNLWTGQMKFDRU-UHFFFAOYSA-N

Formula

C18H20ClN5O2S

Mass

405.9

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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 - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - 1,2-thiazolamine - 1,4-diazinane - Aryl chloride - Aryl halide - Piperazine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Cyanide - Organohalogen compound - 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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