Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC1=NC(=O)C(\S1)=C\c2oc(cc2)CC)c3ccc(F)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1oc(cc1)\C=C2/SC(=NC2=O)N[C@H](C(O)=O)c3ccc(F)cc3 |
SMILES | CACTVS | 3.341 | CCc1oc(cc1)C=C2SC(=NC2=O)N[CH](C(O)=O)c3ccc(F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1ccc(o1)C=C2C(=O)N=C(S2)NC(c3ccc(cc3)F)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1 |
InChIKey | InChI | 1.03 | RNEACARJKXYVND-MZLJFPOFSA-N |