Mls000757023
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
Also Known As: Maybridge1_003660|Oprea1_319910|Oprea1_536404|HMS551O08|BAS 04804928|2-ETHOXYCARBONYL-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4-ONE|SR-01000459518-1|ethyl 4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylate|ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate|ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrim|4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylic acid|Ethyl 3,4,5,6,7,8-hexahydro-4-oxobenzothieno[2,3-d]pyrimidine-2-carboxylate|Ethyl 4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxylate|ethyl 4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidine-2-carboxyla te|ethyl 4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-2-carboxylate|[1]Benzothieno[2,3-d]pyrimidine-2-carboxylic acid, 3,4,5,6,7,8-hexahydro-4-oxo-, ethyl ester|667-435-1|ethyl 3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxylate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.0725 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0725 |
| Monoisotopic Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 40106-36-3 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | YDXBADCWZQEAFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mls000757023 (CAS 40106-36-3), with molecular formula C13H14N2O3S and molecular weight 278.0725 g/mol. IUPAC: ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate.
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