Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)C(C)N1C=CNC1=S
InChIKey
InChIKey=ZIMGBVCHPRRUNU-UHFFFAOYSA-N
Formula
C13H14N2O2S
Mass
262.33
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
Imidazolyl carboxylic acids and derivatives Benzoyl derivatives N-substituted imidazoles Imidazolethiones Methyl esters Heteroaromatic compounds Thioureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Imidazolyl carboxylic acid derivative - Imidazole-2-thione - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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