Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(=C2)C(=O)OC)=NC(=O)CS(=O)(=O)CC(=O)NC1=C(C(=O)OC)C2=C(CC(C)CC2)S1
InChIKey
InChIKey=BHQNCSPOPQDOTM-UHFFFAOYSA-N
Formula
C27H31N3O9S3
Mass
637.74
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 Benzenoids Vinylogous amides Heteroaromatic compounds Methyl esters Thiazoles Sulfones Isothioureas N-acylimines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Thiophene carboxylic acid or derivatives - N-arylamide - Benzenoid - Azole - Sulfone - Sulfonyl - Thiazole - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - N-acylimine - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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