Compound Identification
SMILES
[Cl-].CCOC(=O)C1=CC(CSC(N)[NH3+])=CC=C1
InChIKey
InChIKey=QWYSOAAVWMPKHA-UHFFFAOYSA-N
Formula
C11H17ClN2O2S
Mass
276.78
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
-
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
Benzoyl derivatives Quaternary ammonium salts Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Dialkylthioethers Primary amines Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Sulfenyl compound - Dialkylthioether - Organic nitrogen compound - Organic chloride salt - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic 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