JQ7
Summary
| Name: | 2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide |
| Formula: | C10 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 256.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide |
| OpenEye OEToolkits | 2.0.6 | 2-[(4~{R})-4-oxidanyl-1,1-bis(oxidanylidene)-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc2c1C(CN(CC(N)=O)S2(=O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O4S/c11-10(14)6-12-5-8(13)7-3-1-2-4-9(7)17(12,15)16/h1-4,8,13H,5-6H2,(H2,11,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | BCYNBASAOBNZAN-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CN1C[C@H](O)c2ccccc2[S]1(=O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CN1C[CH](O)c2ccccc2[S]1(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(CN(S2(=O)=O)CC(=O)N)O |
