Structure Information
Structure

Compound Identification

SMILES

OC1=C(NC(=O)CCN2C(=S)SC(=CC3=CC=C(Cl)C=C3)C2=O)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=QEFMHACWSYFETO-UHFFFAOYSA-N

Formula

C19H14ClN3O5S2

Mass

463.91

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Nitrophenol - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Thiazolidinethione - Benzenoid - Dithiocarbamic acid ester - Cyclic dithiocarbamic acid ester - Thiazolidine - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organochloride - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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