Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(=C2)C(=O)OC)=NC(=O)C1=CC=C(O1)[N+]([O-])=O
InChIKey
InChIKey=SIBUCFUFXHIIAI-UHFFFAOYSA-N
Formula
C17H15N3O7S
Mass
405.38
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 Nitrofurans Nitroaromatic compounds Benzenoids Thiazoles Heteroaromatic compounds Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - Methyl ester - Carboxylic acid ester - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic zwitterion - 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