| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(s1)C1CCc2c(coc2C1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C13H11ClO3S/c14-12-4-3-11(18-12)7-1-2-8-9(13(15)16)6-17-10(8)5-7/h3-4,6-7H,1-2,5H2,(H,15,16)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | MAQSNVGRDZAAQU-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@@H](CCc12)c3sc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CCc12)c3sc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1[C@@H]2CCc3c(coc3C2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1C2CCc3c(coc3C2)C(=O)O)Cl |
