Compound Identification
SMILES
COCCN(C(C)=O)C1=C2SC(NC(=O)C3=CC=C(F)C=C3)=NC2=C(OC)C=C1
InChIKey
InChIKey=XNZCLYWXYVRFOT-UHFFFAOYSA-N
Formula
C20H20FN3O4S
Mass
417.46
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzothiazoles Methoxyanilines Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Acetamides Tertiary carboxylic acid amides Thiazoles Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Methoxyaniline - Phenol ether - Benzoyl - Anisole - Fluorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Acetamide - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available