Basic information
- Standard SMILES
COC(=O)C1(NC(=O)c2cccc(C)c2O)CCSCC1- InChIKey
FIYIPBBPPFSJEO-UHFFFAOYSA-N- Molecular formula
- C15H19NO4S
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.10347926
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid methyl ester
- IUPAC
- methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]thiane-4-carboxylate
Names & synonyms
SCHEMBL3308342FIYIPBBPPFSJEO-UHFFFAOYSA-N4-(2-hydroxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59314262
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
4 records
Compound notes
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