2LY
Summary
| Name: | N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide |
| Formula: | C8 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 199.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1scc2OCCOc12)NC |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | MXUQWUJJYQPEJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1scc2OCCOc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1scc2OCCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1c2c(cs1)OCCO2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1c2c(cs1)OCCO2 |
