Compound Identification
SMILES
CC(C)OC1=CC(CC2=C(C(=O)OC2(O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C2=CC3=NSN=C3C=C2)=CC(OC(C)C)=C1OC(C)C
InChIKey
InChIKey=VLCQMZTXIVSWBW-UHFFFAOYSA-N
Formula
C39H40N2O7S
Mass
680.82
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 Phenol ethers Alkyl aryl ethers Butenolides Thiadiazoles Enoate esters Heteroaromatic compounds Hemiacetals Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 2-furanone - Benzenoid - Azole - Heteroaromatic compound - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiadiazole - Carboxylic acid ester - Hemiacetal - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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