Basic information
- Standard SMILES
CC1(C)C=C(n2ccc(C(CCO[Si](C)(C)C(C)(C)C)OC(=S)Oc3ccccc3)cc2=O)c2cc(C#N)ccc2O1- InChIKey
FGMIIRJOABSZBS-UHFFFAOYSA-N- Molecular formula
- C33H38N2O5SSi
- Average molar mass
- 602.8 g/mol
Names & identifiers
- Preferred name
- 6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(1-phenoxythiocarbonyloxy-3-t-butyldimethylsilyloxypropyl)-1-pyridinyl}-2H-benzo[b]pyran
- IUPAC
- 4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenoxycarbothioyloxypropyl]-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
Names & synonyms
SCHEMBL9299900FGMIIRJOABSZBS-UHFFFAOYSA-N6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(1-phenoxythiocarbonyloxy-3-t-butyldimethylsilyloxypropyl)-1-pyridinyl}-2H-benzo[ b]pyran
Database identifiers
- PubChem CID
- 21746924
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
2 records
Compound notes
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