Compound Identification
SMILES
COC(=O)CC(CC(=O)OC)N1C=C(NC(=O)C2=CC=CC=C2SC(F)F)C=N1
InChIKey
InChIKey=CXQSRLDGNFSONT-UHFFFAOYSA-N
Formula
C18H19F2N3O5S
Mass
427.42
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
Benzamides Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Fatty acid methyl esters Vinylogous thioesters Dicarboxylic acids and derivatives Pyrazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Dicarboxylic acid or derivatives - Vinylogous thioester - Fatty acyl - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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