A1D9U
Summary
| Name: | 2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate |
| Formula: | C12 H19 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 289.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methylpropyl (~{E})-4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-4-oxidanylidene-but-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H19NO5S/c1-9(2)7-18-12(15)4-3-11(14)13-10-5-6-19(16,17)8-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/b4-3- |
| InChIKey | InChI | 1.06 | FCRDTNJXBJITIJ-ARJAWSKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC(=O)\C=C\C(=O)N[C@@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | CC(C)COC(=O)C=CC(=O)N[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)COC(=O)/C=C/C(=O)N[C@@H]1CCS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)COC(=O)C=CC(=O)NC1CCS(=O)(=O)C1 |
