2-[5-[(4-Methoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]-3-oxopropanenitrile
Basic information
- CAS
852706-18-4- Standard SMILES
COc1ccc(C=c2sc(=C(C#N)C=O)n(C)c2=O)cc1- InChIKey
OPWKNPNUZKVZHC-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3S
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.05686342
Names & identifiers
- Preferred name
- 2-[5-[(4-Methoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]-3-oxopropanenitrile
- IUPAC
- 2-[5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
Names & synonyms
DTXSID1011218922-{5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}-3-oxopropanenitrileAKOS0306638102-[5-[(4-Methoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]-3-oxopropanenitrile
Database identifiers
- CAS
852706-18-4- PubChem CID
- 4843633
- DTXSID
DTXSID101121892
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 551
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Compound notes
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