Basic information
- CAS
29947-21-5- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1- InChIKey
UNAVXDZSTTWMEY-UHFFFAOYSA-N- Molecular formula
- C22H16N2O3S2
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.06023472
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-{4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl}prop-2-enoate
- IUPAC
- ethyl 2-cyano-3-[4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enoate
Names & synonyms
29947-21-5DTXSID70325176Ethyl 2-cyano-3-{4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl}prop-2-enoate
Database identifiers
- CAS
29947-21-5- PubChem CID
- 349352
- DTXSID
DTXSID70325176
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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