Compound Identification
SMILES
COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KYSQRBPWTLUZDA-UHFFFAOYSA-N
Formula
C19H20N2O6S
Mass
404.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Benzyloxycarbonyls Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Vinylogous thioesters Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzyloxycarbonyl - O-sulfanylbenzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Dialkyl ether - Ether - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organosulfur compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available