Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)C1=CC=C(O1)[N+]([O-])=O
InChIKey
InChIKey=FFBWKUCZWKOOGC-UHFFFAOYSA-N
Formula
C15H12N4O7S
Mass
392.34
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
Furoic acid and derivatives Nitroaromatic compounds Nitrofurans Benzenoids Heteroaromatic compounds Thiazoles Isothioureas Organic oxoazanium compounds Carboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Benzenoid - Azole - Furan - Thiazole - Heteroaromatic compound - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic oxygen 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