A1ABV
Summary
| Name: | (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Formula: | C11 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 241.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-1,1-bis(oxidanylidene)-2-propan-2-yl-3,4-dihydro-1$l^{6},2-benzothiazin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)N1CC(O)c2ccccc2S1(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C11H15NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8,10,13H,7H2,1-2H3/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | POZDFSDLONLUBY-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1C[C@@H](O)c2ccccc2[S]1(=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)N1C[CH](O)c2ccccc2[S]1(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1C[C@H](c2ccccc2S1(=O)=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CC(c2ccccc2S1(=O)=O)O |
