| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H22ClN3O3S/c24-17-4-6-19(7-5-17)30-23(8-10-29-11-9-23)22(28)27-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14H,8-11H2,(H3,25,26)(H,27,28) |
| InChIKey | InChI | 1.06 | MJMUMNHXDJSYIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccc(Cl)cc4)c2 |
| SMILES | CACTVS | 3.385 | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccc(Cl)cc4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C3(CCOCC3)Oc4ccc(cc4)Cl)\N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=O)C2(CCOCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N |
