| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(\C(=O)OC)(C#N)=C1\SCC(N1c2ccc(cc2)C(Nc3ccc(cc3)C(C)(C)C)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C24H23N3O4S/c1-24(2,3)16-7-9-17(10-8-16)26-21(29)15-5-11-18(12-6-15)27-20(28)14-32-22(27)19(13-25)23(30)31-4/h5-12H,14H2,1-4H3,(H,26,29)/b22-19- |
| InChIKey | InChI | 1.03 | JBCLOAAJLMUGLP-QOCHGBHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(/C#N)=C/1SCC(=O)N/1c2ccc(cc2)C(=O)Nc3ccc(cc3)C(C)(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(cc2)C(=O)Nc3ccc(cc3)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)CSC3=C(C#N)C(=O)OC |
