4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
Basic information
- CAS
159852-69-4- Standard SMILES
CCOC(=O)c1sc2nc3sc4ccccc4n3c(=O)c2c1C- InChIKey
LUKOMMUFCIOFLK-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3S2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.0289346
Names & identifiers
- Preferred name
- 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 14-methyl-16-oxo-8,12-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-13-carboxylate
Names & synonyms
4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester159852-69-4DTXSID90166745RefChem:297937DTXCID4089236Ethyl 3-methyl-4-oxo-4H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
Database identifiers
- CAS
159852-69-4- PubChem CID
- 3074595
- DTXSID
DTXSID90166745
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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