9VZ
Summary
| Name: | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate |
| Formula: | C11 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h8H,3-6H2,1-2H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | FCNBWQFEVMWBAH-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H]1CCc2nc(C)sc2C1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CCc2nc(C)sc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C1CCc2c(sc(n2)C)C1 |
