Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(Br)=C2)=NC(=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=XEBFMLFYXFCPAT-UHFFFAOYSA-N
Formula
C19H17BrN2O5S
Mass
465.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
Dimethoxybenzenes Benzoic acids and derivatives Benzothiazoles Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Aryl bromides Thiazoles Methyl esters Heteroaromatic compounds Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - 1,3-benzothiazole - Anisole - Methoxybenzene - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Methyl ester - Thiazole - Isothiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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