Compound Identification
SMILES
[Na+].CC1=C(OCC2=CC=CC=C2)C(C)=C2CCC(C)(CN3CCC[C@H]3COC3=CC=C(CC4SC([O-])=NC4=O)C=C3)OC2=C1C
InChIKey
InChIKey=IQRAHEYZTXRVKI-OGGWKERQSA-M
Formula
C36H41N2NaO5S
Mass
636.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Thiazolines Trialkylamines Amino acids and derivatives N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Meta-thiazoline - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - N-acylimine - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available