VJY
Summary
| Name: | N-[(5-acetylthiophen-2-yl)methyl]acetamide |
| Formula: | C9 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 197.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5-acetylthiophen-2-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5-ethanoylthiophen-2-yl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)NCc1ccc(s1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12) |
| InChIKey | InChI | 1.06 | UDCCRNVIUZAEHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1sc(cc1)C(C)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1sc(cc1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(s1)CNC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc(s1)CNC(=O)C |
