Compound Identification
SMILES
CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC1=CC=C(F)C=C1
InChIKey
InChIKey=MQEIPQXLQLNOBM-UHFFFAOYSA-N
Formula
C19H19FN2O4S
Mass
390.43
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 Anilides Thiophenol ethers N-arylamides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Vinylogous thioesters Aryl fluorides Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Aryl thioether - Benzoyl - N-arylamide - Thiophenol ether - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous thioester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - 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