Basic information
- Standard SMILES
CCOC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(I)c3)o2)SC1=S- InChIKey
NLGGRPYYZWUYMS-DHDCSXOGSA-N- Molecular formula
- C18H14INO4S2
- Average molar mass
- 499.3 g/mol
- Monoisotopic mass
- 498.9409
Names & identifiers
- Preferred name
- (Z)-ethyl-2-(5-((5-(3-iodophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
- IUPAC
- ethyl 2-[(5Z)-5-[[5-(3-iodophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Names & synonyms
SCHEMBL14324585NLGGRPYYZWUYMS-DHDCSXOGSA-N(Z)-ethyl-2-(5-((5-(3-iodophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
Database identifiers
- PubChem CID
- 86675360
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
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