41A
Summary
| Name: | 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one |
| Formula: | C13 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one |
| OpenEye OEToolkits | 1.5.0 | 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1sc(nc1CC(C2)(C)C)N3CCOCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CC(=O)c2sc(nc2C1)N3CCOCC3 |
| SMILES | CACTVS | 3.341 | CC1(C)CC(=O)c2sc(nc2C1)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | DZXMARZBAUMWLK-UHFFFAOYSA-N |
