Compound Identification
SMILES
CCOCCN1C(SC2=C1C=CC(OC)=C2)=NC(=O)C1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=KKDFHQVFVHJPCF-UHFFFAOYSA-N
Formula
C17H17N3O5S2
Mass
407.46
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 Thiophene carboxamides Anisoles Nitroaromatic compounds 2,5-disubstituted thiophenes Alkyl aryl ethers Thiazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitrothiophene - Nitrothiophene - 1,3-benzothiazole - Nitroaromatic compound - Anisole - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - 2,5-disubstituted thiophene - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thiophene - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Organic oxoazanium - Ether - Organic salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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