Compound Identification
SMILES
COC(=O)C1=CC2=CC3=C(COC3)C=C2S1
InChIKey
InChIKey=LYRCSMAXHGWTML-UHFFFAOYSA-N
Formula
C12H10O3S
Mass
234.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
1-benzothiophenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Methyl esters Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - Isocoumaran - 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available