O3D
Summary
| Name: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione |
| Formula: | C9 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 215.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione |
| OpenEye OEToolkits | 2.0.6 | 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCS(CC1)(=O)=O)Cc2ccco2 |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2 |
| InChIKey | InChI | 1.03 | AEOGPIJVSQTAII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)CCN(CC1)Cc2occc2 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)CCN(CC1)Cc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CN2CCS(=O)(=O)CC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CN2CCS(=O)(=O)CC2 |
