Compound Identification
SMILES
OC1=CC=CC=C1C(=O)OCC(=O)N1CCN(CC1)C(=O)C1=CC=CS1
InChIKey
InChIKey=ACIHYGXJEVOJHC-UHFFFAOYSA-N
Formula
C18H18N2O5S
Mass
374.41
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
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Thiophene carboxamides 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Piperazines Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Piperazine - 1,4-diazinane - Vinylogous acid - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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