Compound Identification
SMILES
COC1=C2N=C(NC(=O)C3=CC=CO3)SC2=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=UFNPAMJYGSMTAQ-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
Methoxyanilines 2-heteroaryl carboxamides Anisoles Furoic acid and derivatives Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Methoxyaniline - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - Anisole - Alkyl aryl ether - Benzenoid - Azole - Furan - Thiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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