A1E2R
Summary
| Name: | methyl N-[(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]carbamate |
| Formula: | C6 H9 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 191.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl ~{N}-[(3~{S})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9NO4S/c1-11-6(8)7-5-2-3-12(9,10)4-5/h2-3,5H,4H2,1H3,(H,7,8)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | OGNGKUHXSBUSPY-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N[C@@H]1C[S](=O)(=O)C=C1 |
| SMILES | CACTVS | 3.385 | COC(=O)N[CH]1C[S](=O)(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N[C@@H]1CS(=O)(=O)C=C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)NC1CS(=O)(=O)C=C1 |
