Compound Identification
SMILES
COC(=O)C1=C(O)C=CC(=C1)C(=O)C(C#N)=C(SC)SC
InChIKey
InChIKey=ZWMZMLCFIFMQCG-UHFFFAOYSA-N
Formula
C14H13NO4S2
Mass
323.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
-
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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Benzoyl derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Methyl esters Enones Acryloyl compounds Ketene acetals Sulfenyl compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-branched alpha,beta-unsaturated-ketone - Vinylogous thioester - Vinylogous acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available