X0U
Summary
| Name: | 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE |
| Formula: | C9 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 208.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine |
| OpenEye OEToolkits | 1.6.1 | 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O2c3cc1sc(nc1cc3OCC2)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1sc2cc3OCCOc3cc2n1 |
| SMILES | CACTVS | 3.352 | Nc1sc2cc3OCCOc3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c2c(cc3c1OCCO3)sc(n2)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c2c(cc3c1OCCO3)sc(n2)N |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11) |
| InChIKey | InChI | 1.03 | IURPFIBKOPUBIT-UHFFFAOYSA-N |
