Compound Identification
SMILES
COC(=O)C(=NO)C(C(=O)C=C(C)C)C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=QHBVVISEHPGMQR-UHFFFAOYSA-N
Formula
C18H16N4O8S
Mass
448.41
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
Gamma-keto acids and derivatives N-arylamides Nitroaromatic compounds Beta-diketones Fatty acid esters Benzenoids Fatty amides Acryloyl compounds Thiazoles Enones Heteroaromatic compounds Ketoximes Methyl esters Secondary carboxylic acid amides Ketones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Gamma-keto acid - N-arylamide - Fatty acid ester - 1,3-diketone - Fatty amide - Keto acid - 1,3-dicarbonyl compound - Fatty acyl - Benzenoid - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Ketoxime - Thiazole - Methyl ester - Alpha,beta-unsaturated ketone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Ketone - Organic nitro compound - Azacycle - Oxime - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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