Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC1=C(C=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1)C(C)=O

InChIKey

InChIKey=FMWKUHFYRAXRRC-UHFFFAOYSA-N

Formula

C18H18N2O5S

Mass

374.41

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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 homomonocyclic compounds

Substituents

Alkyl-phenylketone - Alpha-amino acid ester - Diarylthioether - Acetophenone - Nitrobenzene - Phenylketone - Aryl ketone - Benzoyl - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aryl thioether - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Thioether - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Organosulfur compound - Aromatic homomonocyclic 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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