Basic information
- Standard SMILES
CCOC(=O)C(=CC1CCOCC1)c1ccc(SC)cn1- InChIKey
VSNLWZXABLVUTG-UHFFFAOYSA-N- Molecular formula
- C16H21NO3S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.12421471
Names & identifiers
- Preferred name
- ethyl 2-[5-(methylsulfanyl)pyridin-2-yl]-3-(tetrahydro-2H-pyran-4-yl)-2-propenoate
- IUPAC
- ethyl 2-(5-methylsulfanyl-2-pyridinyl)-3-(oxan-4-yl)prop-2-enoate
Names & synonyms
SCHEMBL2901876VSNLWZXABLVUTG-UHFFFAOYSA-Nethyl 2-[5-(methylsulfanyl)pyridin-2-yl]-3-(tetrahydro-2H-pyran-4-yl)-2-propenoate
Database identifiers
- PubChem CID
- 68433868
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
4 records
Compound notes
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