A1EAG
Summary
| Name: | 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone |
| Formula: | C16 H23 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 337.437 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H23N3O3S/c20-12-1-5-18(10-12)15-17-9-13(23-15)14(21)19-6-2-16(11-19)3-7-22-8-4-16/h9,12,20H,1-8,10-11H2/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | PDHLSHPRWHXZMR-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCN(C1)c2sc(cn2)C(=O)N3CCC4(CCOCC4)C3 |
| SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)c2sc(cn2)C(=O)N3CCC4(CCOCC4)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(sc(n1)N2CC[C@@H](C2)O)C(=O)N3CCC4(C3)CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(sc(n1)N2CCC(C2)O)C(=O)N3CCC4(C3)CCOCC4 |
