Compound Identification
SMILES
COC1(CCOCC1)C1=CC(OCC2=CC3=C(C=C2)C(=O)N(C)S3(=O)=O)=CC(F)=C1
InChIKey
InChIKey=QKUMFHSZZIWSTB-UHFFFAOYSA-N
Formula
C21H22FNO6S
Mass
435.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Benzylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Oxanes Aryl fluorides Organosulfonic acids and derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available