| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(C(=S)c2c1ccc(OC)c(c1ccc2)C(F)(F)F)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.03 | LUBHDINQXIHVLS-UHFFFAOYSA-N |
