CTB
Summary
| Name: | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID |
| Formula: | C7 H10 B N O3 S |
| Formal charge: | 0 |
| Formula weight: | 199.035 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(thiophen-2-ylacetyl)amino]methyl}boronic acid |
| OpenEye OEToolkits | 1.5.0 | (2-thiophen-2-ylethanoylamino)methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCB(O)O)Cc1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)CNC(=O)Cc1sccc1 |
| SMILES | CACTVS | 3.341 | OB(O)CNC(=O)Cc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)Cc1cccs1)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)Cc1cccs1)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | VXAPSUDMBNWYNC-UHFFFAOYSA-N |
