5PW
Summary
| Name: | N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide |
| Formula: | C9 H7 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 237.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O3S/c1-5(13)10-9-11-7-3-2-6(12(14)15)4-8(7)16-9/h2-4H,1H3,(H,10,11,13) |
| InChIKey | InChI | 1.03 | XARDSBCDZPSYTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc2cc(ccc2n1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1sc2cc(ccc2n1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-] |
