Compound Identification
SMILES
COC1=CC(CC2=C(C(=O)OC2(O)C2=C(OC)C=C(F)C=C2)C2=CC3=NSN=C3C=C2)=CC(OC)=C1OC
InChIKey
InChIKey=AHACSJUKIWJHGA-UHFFFAOYSA-N
Formula
C27H23FN2O7S
Mass
538.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiadiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiadiazoles
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Butenolides Thiadiazoles Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Fluorobenzene - Halobenzene - Alkyl aryl ether - 2-furanone - Benzenoid - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiadiazole - Carboxylic acid ester - Hemiacetal - Lactone - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
External Descriptors
Not available