Compound Identification
SMILES
CCOC(=O)CN1C(SC2=C1C=CC(OC)=C2)=NC(=O)C=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LKHDAYSQBFFHKV-UHFFFAOYSA-N
Formula
C21H19N3O6S
Mass
441.46
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
Cinnamic acids and derivatives Benzothiazoles Nitrobenzenes Styrenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Carboxylic acid esters N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Anisole - Nitroaromatic compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Isothiourea - C-nitro compound - Carboxylic acid ester - Organic nitro compound - N-acylimine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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