Basic information
- CAS
214916-29-7- Standard SMILES
CCOC(=O)CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21- InChIKey
KGYHIYUDRCLOFZ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5S2
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.05006396
Names & identifiers
- Preferred name
- Ethyl 2-(2-benzyl-1,1,3-trioxo-thieno[3,4-e][1,2,4]thiadiazin-4-yl)acetate
- IUPAC
- ethyl 2-(2-benzyl-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl)acetate
Names & synonyms
214916-29-7Ethyl 2-(1,1,3-trioxo-2-benzylthiopheno(3,4-e)1,2,4-thiadiazaperhydroin-4-yl)acetate4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetic acid, 2,3-dihydro-3-oxo-2-(phenylmethyl)-, ethyl ester, 1,1-dioxideEthyl 2-[1,1,3-trioxo-2-benzylthiopheno[3,4-e]1,2,4-thiadiazaperhydroin-4-yl]acetate4H-Thieno[3,4-e]-1,2,4-thiadiazine-4-acetic acid, 2,3-dihydro-3-oxo-2-(phenylmethyl)-, ethyl ester, 1,1-dioxideCHEMBL424270DTXSID80944094ethyl 2-(2-benzyl-1,1,3-trioxo-thieno[3,4-e][1,2,4]thiadiazin-4-yl)acetateEthyl (2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~-thieno[3,4-e][1,2,4]thiadiazin-4(1H)-yl)acetate
Database identifiers
- CAS
214916-29-7- PubChem CID
- 472015
- DTXSID
DTXSID80944094- ChEMBL
CHEMBL424270
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…