Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC2=CC=CC=C32)=C1)C(=O)OC
InChIKey
InChIKey=PMTYEEYNOARMKY-UHFFFAOYSA-N
Formula
C29H19N3O6S
Mass
537.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Naphthopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Naphthopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthopyrans
Alternative Parents
m-Phthalate esters M-phthalic acid and derivatives Coumarins and derivatives Benzoic acid esters 1-benzopyrans Aminobenzoic acids and derivatives Naphthalenes Aniline and substituted anilines Benzoyl derivatives Pyranones and derivatives 2,4-disubstituted thiazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Lactones Amino acids and derivatives Enamines Azacyclic compounds Oxacyclic compounds Secondary amines Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthopyran - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - Coumarin - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - Naphthalene - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Amino acid or derivatives - Lactone - Oxacycle - Enamine - Carbonitrile - Nitrile - Secondary amine - Carboxylic acid derivative - Azacycle - Amine - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors
Not available