Compound Identification
SMILES
COCCN1C(SC2=CC(OC)=C(OC)C=C12)=NC(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=OWSTVYYOBKYWFT-UHFFFAOYSA-N
Formula
C19H19FN2O4S
Mass
390.43
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
Benzothiazoles Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Thiazoles Isothioureas Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - 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