WCB
Summary
| Name: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one |
| Formula: | C11 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-thiophen-3-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccsc1)N1CC(C)OCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | DTRKXTDJYFGDLN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CCO1)C(=O)Cc2cscc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CCO1)C(=O)Cc2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(CCO1)C(=O)Cc2ccsc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCO1)C(=O)Cc2ccsc2 |
