A1EQP
Summary
| Name: | 5-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-~{N}-(3-methylbutyl)furan-2-carboxamide |
| Formula: | C18 H20 F N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 425.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-~{N}-(3-methylbutyl)furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20FN3O6S/c1-10(2)5-6-20-18(25)15-4-3-14(28-15)11-7-12(19)17(13(23)8-11)22-9-16(24)21-29(22,26)27/h3-4,7-8,10,23H,5-6,9H2,1-2H3,(H,20,25)(H,21,24) |
| InChIKey | InChI | 1.06 | ATHNMEGDOBVKBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCNC(=O)c1oc(cc1)c2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2 |
| SMILES | CACTVS | 3.385 | CC(C)CCNC(=O)c1oc(cc1)c2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CCNC(=O)c1ccc(o1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCNC(=O)c1ccc(o1)c2cc(c(c(c2)F)N3CC(=O)NS3(=O)=O)O |
