8ZO
Summary
| Name: | prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate |
| Formula: | C12 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 252.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | FZYNHWOAZRRURO-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CCOC(=O)[C@@H]1C[S](=O)(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=CCOC(=O)C1CS(=O)(=O)c2c1cccc2 |
