Compound Identification
SMILES
CC1=C(CC(=O)NCC#C)C(=O)OC2=CC(N)=C(C=C12)S(O)(=O)=O
InChIKey
InChIKey=WAFXLOCAPUXHFC-UHFFFAOYSA-N
Formula
C15H14N2O6S
Mass
350.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans 1-sulfo,2-unsubstituted aromatic compounds Pyranones and derivatives Benzenoids Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactones Oxacyclic compounds Acetylides Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Amino acid or derivatives - Carboxamide group - Lactone - Secondary carboxylic acid amide - Acetylide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available