Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2SC(COC(=O)C3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=WXHKIRNBDGUUMP-FDLBOYPASA-N
Formula
C16H15NO6S
Mass
349.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Alpha amino acids and derivatives Benzoyl derivatives Penems Thiazolecarboxylic acids and derivatives Vinylogous thioesters Tertiary carboxylic acid amides Thiazolines Tertiary amines Secondary alcohols Azetidines Amino acids Carboxylic acid esters Thioenol ethers Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - Benzoyl - Penem - Thiazolecarboxylic acid or derivatives - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Tertiary amine - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available