A1ABJ
Summary
| Name: | (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Formula: | C10 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-(2-hydroxyethyl)-1,1-bis(oxidanylidene)-3,4-dihydro-1$l^{6},2-benzothiazin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CN(CCO)S(=O)(=O)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO4S/c12-6-5-11-7-9(13)8-3-1-2-4-10(8)16(11,14)15/h1-4,9,12-13H,5-7H2/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | JXKGNMMMIUVTPS-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN1C[C@H](O)c2ccccc2[S]1(=O)=O |
| SMILES | CACTVS | 3.385 | OCCN1C[CH](O)c2ccccc2[S]1(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@H](CN(S2(=O)=O)CCO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CN(S2(=O)=O)CCO)O |
