Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(SCc2coc(/C=C/c3ccccc3)n2)cc1- InChIKey
NVUUQABSCRCNTP-GXDHUFHOSA-N- Molecular formula
- C23H23NO3S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.13986477
Names & identifiers
- Preferred name
- ethyl 3-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethylthio]phenyl]propionate
- IUPAC
- ethyl 3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methylsulfanyl]phenyl]propanoate
Names & synonyms
SCHEMBL5758992NVUUQABSCRCNTP-GXDHUFHOSA-Nethyl 3-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethylthio]phenyl]propionate
Database identifiers
- PubChem CID
- 22009667
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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