Compound Identification
SMILES
NC(CC1=CSC2=CC=CC=C12)C(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=GCDQAHKDBFETHB-UHFFFAOYSA-N
Formula
C20H15F6NO2S
Mass
447.4
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
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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
Trifluoromethylbenzenes Benzyloxycarbonyls 1-benzothiophenes Fatty acid esters Aralkylamines Thiophenes Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Trifluoromethylbenzene - Benzyloxycarbonyl - Benzothiophene - 1-benzothiophene - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl fluoride - Amine - Primary amine - Alkyl halide - 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