A1AY5
Summary
| Name: | (furan-2-yl)(thiomorpholin-4-yl)methanone |
| Formula: | C9 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 197.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (furan-2-yl)(thiomorpholin-4-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | furan-2-yl(thiomorpholin-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccco1)N1CCSCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2 |
| InChIKey | InChI | 1.06 | NLZGZUVTOHQCQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCSCC1)c2occc2 |
| SMILES | CACTVS | 3.385 | O=C(N1CCSCC1)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCSCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCSCC2 |
