Compound Identification
SMILES
CCOC(=O)CN(C)S(=O)(=O)CC1=C(Cl)C(Br)=CC=C1
InChIKey
InChIKey=RTEAXNOCDJJMRC-UHFFFAOYSA-N
Formula
C12H15BrClNO4S
Mass
384.67
Taxonomic Classification
Taxonomy Tree
-
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
Bromobenzenes Chlorobenzenes Organosulfonamides Aryl bromides Aryl chlorides Organic sulfonamides Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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