A1JEJ
Summary
| Name: | (3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide |
| Formula: | C9 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 241.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3O3S/c13-16(14)8-2-1-3-11-9(8)15-7-5-10-4-6(7)12-16/h1-3,6-7,10,12H,4-5H2 |
| InChIKey | InChI | 1.06 | VPWBEBRXWCOSSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)N[C@@H]2CNC[C@@H]2Oc3ncccc13 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)N[CH]2CNC[CH]2Oc3ncccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)O[C@H]3CNC[C@H]3NS2(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(nc1)OC3CNCC3NS2(=O)=O |
