Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1cc(O)c(F)cc1 |
InChI | InChI | 1.03 | InChI=1S/C20H24FN3O3S/c1-20(2,23-19(26)27-16-10-24-7-5-12(16)6-8-24)17-11-28-18(22-17)13-3-4-14(21)15(25)9-13/h3-4,9,11-12,16,25H,5-8,10H2,1-2H3,(H,23,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | LRJXHGILPIXDQG-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c3csc(n3)c4ccc(F)c(O)c4 |
SMILES | CACTVS | 3.385 | CC(C)(NC(=O)O[CH]1CN2CCC1CC2)c3csc(n3)c4ccc(F)c(O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1csc(n1)c2ccc(c(c2)O)F)NC(=O)O[C@@H]3CN4CCC3CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1csc(n1)c2ccc(c(c2)O)F)NC(=O)OC3CN4CCC3CC4 |