Compound Identification
SMILES
CCOC(=O)CCN1C(SC2=C1C=CC(C)=C2)=NC(=O)C1=CC=CC=C1F
InChIKey
InChIKey=YUYRGBFNNNIOLK-UHFFFAOYSA-N
Formula
C20H19FN2O3S
Mass
386.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzothiazoles Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Thiazoles Heteroaromatic compounds Isothioureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Vinylogous halide - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available