Compound Identification
SMILES
CC1=C(OC(=O)C2=CC=CC=C2)C(=O)C=CN1CC1=NCCS1
InChIKey
InChIKey=MFINQWYHBGVTAT-UHFFFAOYSA-N
Formula
C17H16N2O3S
Mass
328.39
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 Methylpyridines Dihydropyridines Vinylogous amides Thiazolines Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Dihydropyridine - Methylpyridine - Hydropyridine - Pyridine - Heteroaromatic compound - Meta-thiazoline - Vinylogous amide - Carboxylic acid ester - Cyclic ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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