Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)O[C@@H](C)C1=NC2=C(C(C)=C(C)S2)C(=O)N1
InChIKey
InChIKey=SNQYELLEWQKFHR-JTQLQIEISA-N
Formula
C18H19N3O3S
Mass
357.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
Aminobenzoic acids and derivatives Thienopyrimidines Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Pyrimidones Heteroaromatic compounds Thiophenes Vinylogous amides Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Thienopyrimidine - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Vinylogous amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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