A1ABX
Summary
| Name: | (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Formula: | C11 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 257.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{R})-4-methoxy-1,1-bis(oxidanylidene)-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC1CN(CCO)S(=O)(=O)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H15NO4S/c1-16-10-8-12(6-7-13)17(14,15)11-5-3-2-4-9(10)11/h2-5,10,13H,6-8H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | FONIBLSHTNENTL-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CN(CCO)[S](=O)(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CO[CH]1CN(CCO)[S](=O)(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1CN(S(=O)(=O)c2c1cccc2)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1CN(S(=O)(=O)c2c1cccc2)CCO |
