Methyl 2-(3-ethoxycarbonyl-2-oxo-propylsulfanyl)-benzoate
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Basic information
- Standard SMILES
CCOC(=O)CC(=O)CSc1ccccc1C(=O)OC- InChIKey
NMKFNLDPIBHLCH-UHFFFAOYSA-N- Molecular formula
- C14H16O5S
- Average molar mass
- 296.34 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-ethoxycarbonyl-2-oxo-propylsulfanyl)-benzoate
- IUPAC
- methyl 2-(4-ethoxy-2,4-dioxobutyl)sulfanylbenzoate
Names & synonyms
SCHEMBL3079300NMKFNLDPIBHLCH-UHFFFAOYSA-Nmethyl 2-(3-ethoxycarbonyl-2-oxo-propylsulfanyl)-benzoate
Database identifiers
- PubChem CID
- 21761900
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
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Related reactions
1 records
Compound notes
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