W1E
Summary
| Name: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate |
| Formula: | C10 H16 O4 S |
| Formal charge: | 0 |
| Formula weight: | 232.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate |
| OpenEye OEToolkits | 2.0.7 | 2-methylpropyl 2-[(3~{R})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(=O)C=CC(CC(=O)OCC(C)C)C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | RZUKZKGHEDZMNQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC(=O)C[C@H]1C[S](=O)(=O)C=C1 |
| SMILES | CACTVS | 3.385 | CC(C)COC(=O)C[CH]1C[S](=O)(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)COC(=O)C[C@H]1CS(=O)(=O)C=C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)COC(=O)CC1CS(=O)(=O)C=C1 |
