A1BMS
Summary
| Name: | 2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
| Formula: | C8 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 221.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-methoxy-~{N}-[(3~{S})-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)CCC(C)(NC(=O)COC)C1 |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO4S/c1-8(9-7(10)5-13-2)3-4-14(11,12)6-8/h3-6H2,1-2H3,(H,9,10)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | INPHJGKASHJNDO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)N[C@@]1(C)CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | COCC(=O)N[C]1(C)CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(CCS(=O)(=O)C1)NC(=O)COC |
