Compound Identification
SMILES
CCOC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=CC=CC=C12
InChIKey
InChIKey=CJDWBNBHHMSCHC-UHFFFAOYSA-N
Formula
C20H15F3N2O2S
Mass
404.41
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
-
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
Indolyl carboxylic acids and derivatives 3-alkylindoles N-alkylindoles Benzothiazoles Substituted pyrroles Aryl fluorides Benzenoids Thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - N-alkylindole - 3-alkylindole - 1,3-benzothiazole - Indole - Indole or derivatives - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Thiazole - Pyrrole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organic oxygen compound - Organohalogen compound - 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