Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(=C1)C(=O)NC1CCSC1=O)[N+]([O-])=O

InChIKey

InChIKey=XCHMUCGTSIINNI-UHFFFAOYSA-N

Formula

C12H12N2O4S

Mass

280.3

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - M-toluamide - Nitroaromatic compound - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Carbothioic s-lactone - Thiolane - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Thiolactone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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