T8E
Summary
| Name: | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide |
| Formula: | C11 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 223.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2S/c1-7(13)9-3-5-10(6-4-9)12-11(14)8(2)15/h3-6,8,15H,1-2H3,(H,12,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | VSYUBCKJJRAVTH-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](S)C(=O)Nc1ccc(cc1)C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](S)C(=O)Nc1ccc(cc1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1ccc(cc1)C(=O)C)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1ccc(cc1)C(=O)C)S |
