J3X
Summary
| Name: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Formula: | C14 H16 Br Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 407.71 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(5-bromanylfuran-2-yl)methyl]-8-(2-chloranylethanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16BrClN2O3S/c15-11-2-1-10(21-11)8-18-13(20)9-22-14(18)3-5-17(6-4-14)12(19)7-16/h1-2H,3-9H2 |
| InChIKey | InChI | 1.03 | BECZFXLAINPVEW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br |
