Compound Identification
SMILES
CCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)CS(=O)(=O)CC(=O)NC1=C(C(=O)OC)C2=C(CCC2)S1
InChIKey
InChIKey=IKOOYFOFSREVGX-UHFFFAOYSA-N
Formula
C22H22N4O8S3
Mass
566.62
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
Thiophene carboxylic acids and derivatives N-arylamides Nitroaromatic compounds Benzenoids Vinylogous amides Thiazoles Sulfones Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Isothioureas N-acylimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Benzenoid - Azole - Thiophene - Heteroaromatic compound - Methyl ester - Vinylogous amide - Thiazole - Sulfone - Sulfonyl - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Isothiourea - N-acylimine - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic zwitterion - 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