Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)SC(C(=O)OCCOC)=C1C
InChIKey
InChIKey=BHXZFLJTSFFNHO-UHFFFAOYSA-N
Formula
C27H23N3O7S2
Mass
565.62
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 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Pyranones and derivatives 2,4-disubstituted thiazoles Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Enamines Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Pyranone - 2-aminothiophene - Pyran - Benzenoid - Dicarboxylic acid or derivatives - Thiazole - Vinylogous amide - Azole - Thiophene - Heteroaromatic compound - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Enamine - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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