Compound Identification
SMILES
COC(=O)CN(C)C1=NC(=C(S1)C=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XMZQNJNIYMPZLB-UHFFFAOYSA-N
Formula
C14H13BrN2O3S
Mass
369.23
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
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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
Dialkylarylamines 2,4,5-trisubstituted thiazoles Bromobenzenes Aryl-aldehydes Aryl bromides 2-amino-1,3-thiazoles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Methyl ester - Thiazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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