Structure Information
Structure

Compound Identification

SMILES

FC1=C(C=C(C=C1)C1=C(C=C(S1)C(=O)N1CNC(=O)C1)C1=CC(Cl)=CC=C1)C#N

InChIKey

InChIKey=GPYCGDVMWGIZHQ-UHFFFAOYSA-N

Formula

C21H13ClFN3O2S

Mass

425.86

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Benzonitrile - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazolidine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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