Compound Identification
SMILES
CC1=C(SC(=N1)C1=CC2=C(OCC2)C=C1)C([O-])=O
InChIKey
InChIKey=DCXMMNGTUXDRND-UHFFFAOYSA-M
Formula
C13H10NO3S
Mass
260.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Benzenoids Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available