L9U
Summary
| Name: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide |
| Formula: | C7 H8 Br N O S |
| Formal charge: | 0 |
| Formula weight: | 234.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-~{N}-(thiophen-2-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cccs1)CBr |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | XFGFQNGEXUDOOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrCC(=O)NCc1sccc1 |
| SMILES | CACTVS | 3.385 | BrCC(=O)NCc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)CBr |
