Compound Identification
SMILES
COC1=CC=CC(CC2=C(C(=O)OC2(O)C2=CC=C(OC(C)C)C=C2)C2=CC3=NSN=C3C=C2)=C1
InChIKey
InChIKey=ZINZPRQDMLPIQY-UHFFFAOYSA-N
Formula
C27H24N2O5S
Mass
488.56
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 Butenolides Thiadiazoles Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-furanone - Dihydrofuran - Azole - Thiadiazole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen 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