Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1SC(=S)N(C2CCS(=O)(=O)C2)C1=O
InChIKey
InChIKey=HBVNUBMFAUSHFA-UHFFFAOYSA-N
Formula
C20H17NO6S3
Mass
463.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzoyl derivatives Thiazolidinethiones Thiolanes Sulfones Methyl esters Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Furan - Sulfone - Thiazolidine - Thiolane - Methyl ester - Dithiocarbamic acid ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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