Compound Identification
SMILES
O=C(OCC1=CC(=O)N2C=CSC2=N1)C1=CC=CC=C1COC1=CC=CC=C1
InChIKey
InChIKey=IRCIJDMHAQIAKZ-UHFFFAOYSA-N
Formula
C21H16N2O4S
Mass
392.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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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
Phenoxy compounds Phenol ethers Benzoyl derivatives Pyrimidones Alkyl aryl ethers Thiazoles Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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