Compound Identification
SMILES
COC(=O)C1=CC2=C(C=C1)N(CC=C)C(S2)=NC(=O)C=CC1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=JDJXPTNCROIOSV-UHFFFAOYSA-N
Formula
C19H15N3O5S2
Mass
429.47
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
2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Benzenoids Thiazoles Methyl esters Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thiophene - Methyl ester - Carboxylic acid ester - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - 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 - Hydrocarbon derivative - Organooxygen compound - Organic salt - Carbonyl group - Organic oxide - 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