HB8
Summary
| Name: | [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
| Formula: | C13 H17 B N O5 S |
| Formal charge: | -1 |
| Formula weight: | 310.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17BNO5S/c1-13(2,3)20-12(16)15-9-6-4-5-8-7-10(14(17,18)19)21-11(8)9/h4-7,17-19H,1-3H3,(H,15,16)/q-1 |
| InChIKey | InChI | 1.03 | WAKYUFAFDTZJQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc2cc(sc12)[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1cccc2cc(sc12)[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O |
