Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate
Basic information
- CAS
20076-80-6- Standard SMILES
CCOC(=O)c1c(C)sc(O)c(-c2ccccc2)c1=O- InChIKey
OZFCZAIGWQAZJC-UHFFFAOYSA-N- Molecular formula
- C15H14O4S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0612801
Names & identifiers
- Preferred name
- Ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4H-thiopyran-3-carboxylate
- IUPAC
- ethyl 6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylate
Names & synonyms
ethyl 6-hydroxy-2-methyl-4-oxo-5-phenyl-4h-thiopyran-3-carboxylateDTXSID30942101RefChem:1084994DTXCID80137051720076-80-6SV 44-Hydroxy-6-methyl-2-oxo-3-phenyl-2H-thiopyran-5-carboxylic acid ethyl ester3-Phenyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron [German]2H-Thiopyran-5-carboxylic acid, 4-hydroxy-6-methyl-2-oxo-3-phenyl-, ethyl ester3-Phenyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron
Database identifiers
- CAS
20076-80-6- PubChem CID
- 209653
- DTXSID
DTXSID30942101
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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