327
Summary
| Name: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine |
| Formula: | C10 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 210.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-propyl-3,4-dihydro-2H-thieno[2,3-f][1,4]oxazepin-5-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O1c2ccsc2C(=[N@H])NC(C1)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC[C@H]1COc2ccsc2C(=N)N1 |
| SMILES | CACTVS | 3.341 | CCC[CH]1COc2ccsc2C(=N)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1c2c(ccs2)OCC(N1)CCC |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | JIIBOYBTIWHZFJ-ZETCQYMHSA-N |
