ethyl 2-[(5E)-5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Basic information
- CAS
93719-13-2- Standard SMILES
CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCC)C2=O)SC1=S- InChIKey
TTZRXKIUWHOQQO-MDZDMXLPSA-N- Molecular formula
- C14H14N2O6S4
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 433.97347086
Names & identifiers
- Preferred name
- ethyl 2-[(5E)-5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
- IUPAC
- ethyl 2-[(5E)-5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Names & synonyms
NSC9154993719-13-2NSC-91549
Database identifiers
- CAS
93719-13-2- PubChem CID
- 5380282
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 675
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Related reactions
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Compound notes
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