Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S=C(Nc1ccc(F)cc1)N2C(C(O)C(O)C(O)C2)CO |
InChI | InChI | 1.03 | InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1 |
InChIKey | InChI | 1.03 | WPBCEOLJVINCLL-NOOOWODRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc2ccc(F)cc2 |
SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)CN1C(=S)Nc2ccc(F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=S)N2CC(C(C(C2CO)O)O)O)F |