Compound Identification
SMILES
CCOC(=O)C1=CN=C2SC3=C(C=C(C=C3)[N+]([O-])=O)N2C1=O
InChIKey
InChIKey=RYSIUMNTYMLXFE-UHFFFAOYSA-N
Formula
C13H9N3O5S
Mass
319.29
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
Pyrimidinecarboxylic acids Nitroaromatic compounds Pyrimidones Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Pyrimidone - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - 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 nitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - 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