Compound Identification
SMILES
CCC(=CC1=[N+](CCCS(O)(=O)=O)C2=C(O1)C=CC(NC(=O)C1=CC=CO1)=C2)C=C1OC2=C(C=C(F)C=C2)N1CCCS(O)(=O)=O
InChIKey
InChIKey=HREGXGSTDUZHTH-UHFFFAOYSA-O
Formula
C30H31FN3O10S2
Mass
676.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
Benzoxazoles 2-heteroaryl carboxamides Furancarboxamides Aryl fluorides Benzenoids Sulfonyls Oxazoles Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzoxazoline - 2-heteroaryl carboxamide - Furoic acid or derivatives - Furancarboxamide - Aryl fluoride - Aryl halide - Benzenoid - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Furan - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Ketene acetal or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available