Compound Identification
SMILES
COC1=C(OC)C=C(NC2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=TXDDCPNCPNQUFV-UHFFFAOYSA-N
Formula
C20H16N2O4S
Mass
380.42
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 Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Lactone - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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