Basic information
- Standard SMILES
COC(=O)C(=C1SCCCN1C(=O)OC)[N+](=O)[O-]- InChIKey
PWIKLNKLNQYQMA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O6S
- Average molar mass
- 276.27 g/mol
Names & identifiers
- Preferred name
- Methyl 5,6-dihydro-2-(2-methoxy-1-nitro-2-oxoethylidene)-2H-1,3-thiazine-3(4H)-carboxylate
- IUPAC
- methyl 2-(2-methoxy-1-nitro-2-oxoethylidene)-1,3-thiazinane-3-carboxylate
Names & synonyms
SCHEMBL11657235PWIKLNKLNQYQMA-UHFFFAOYSA-NMethyl 5,6-dihydro-2-(2-methoxy-1-nitro-2-oxoethylidene)-2H-1,3-thiazine-3(4H)-carboxylate
Database identifiers
- PubChem CID
- 73676598
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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