| PDB CCD ID: | A1ABX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H15 N O4 S |
| InChI: | 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: | FONIBLSHTNENTL-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | COC1CN(CCO)S(=O)(=O)c2ccccc21 | | CACTVS 3.385 | CO[CH]1CN(CCO)[S](=O)(=O)c2ccccc12 | | CACTVS 3.385 | CO[C@H]1CN(CCO)[S](=O)(=O)c2ccccc12 | | OpenEye OEToolkits 2.0.7 | COC1CN(S(=O)(=O)c2c1cccc2)CCO | | OpenEye OEToolkits 2.0.7 | CO[C@H]1CN(S(=O)(=O)c2c1cccc2)CCO |
|
| Name: | (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
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