| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OCc1cccc(OC)c1)c4sc2ccccc2c4OC3CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C22H23NO4S/c1-25-17-6-4-5-15(13-17)14-26-22(24)21-20(27-16-9-11-23-12-10-16)18-7-2-3-8-19(18)28-21/h2-8,13,16,23H,9-12,14H2,1H3 |
| InChIKey | InChI | 1.03 | GEVWCNOQZDSSIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(COC(=O)c2sc3ccccc3c2OC4CCNCC4)c1 |
| SMILES | CACTVS | 3.370 | COc1cccc(COC(=O)c2sc3ccccc3c2OC4CCNCC4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4 |
