Compound Identification
SMILES
CC(N)=C(C#N)C(=O)COC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C12
InChIKey
InChIKey=XJRWSZHBKXFRFZ-UHFFFAOYSA-N
Formula
C15H14N4O5S
Mass
362.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Benzothiazoles Alpha-acyloxy ketones Alpha-branched alpha,beta-unsaturated ketones Benzenoids Imidolactams Vinylogous amides Organosulfonic acids and derivatives Acryloyl compounds Enones Ketones Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Amidines Enamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,2-benzothiazole - Alpha-acyloxy ketone - Imidolactam - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Organic sulfonic acid or derivatives - Vinylogous amide - Alpha,beta-unsaturated ketone - Organosulfonic acid or derivatives - Carboxylic acid ester - Ketone - Amidine - Enamine - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Cyanide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Aromatic heteropolycyclic 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