| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | COc3ccc(c1ccc(c(c1)F)N2/C(SCC2=O)=C(/C(=O)OC)C#N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H15FN2O4S/c1-26-14-6-3-12(4-7-14)13-5-8-17(16(21)9-13)23-18(24)11-28-19(23)15(10-22)20(25)27-2/h3-9H,11H2,1-2H3/b19-15- |
| InChIKey | InChI | 1.03 | VIKSKZVEJICSLD-CYVLTUHYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)/C(C#N)=C/1SCC(=O)N/1c2ccc(cc2F)c3ccc(OC)cc3 |
| SMILES | CACTVS | 3.385 | COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(cc2F)c3ccc(OC)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)c2ccc(c(c2)F)N3C(=O)CSC3=C(C#N)C(=O)OC |
