Compound Identification
SMILES
CCOC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=ZMOISOILOYXJFI-UHFFFAOYSA-N
Formula
C13H14N4O5S
Mass
338.34
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
Nitroaromatic compounds Benzenoids Thiazoles Heteroaromatic compounds Ureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Urea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Organic oxide - Organic nitrogen 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