Compound Identification
SMILES
COC(=O)C1=C(SSC2=C(C(=O)OC)C3=C(OC(=O)C4=CC=CC=C34)N2C2=CC=C(Cl)C=C2)N(C2=C1C1=CC=CC=C1C(=O)O2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HVPRWYZXSVTLIV-UHFFFAOYSA-N
Formula
C38H22Cl2N2O8S2
Mass
769.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Isocoumarins and derivatives 2-benzopyrans Pyrrole carboxylic acids and derivatives Pyranones and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Methyl esters Lactones Organic disulfides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - 1-phenylpyrrole - Benzopyran - 2-benzopyran - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organic disulfide - Oxacycle - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available