| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CC(Cc1ccccc1)C(=O)SCC(=O)c2ccccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C19H18O4S/c20-17(15-9-5-2-6-10-15)13-24-19(23)16(12-18(21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | XBDWLLDIBQGWMW-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H](Cc1ccccc1)C(=O)SCC(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](Cc1ccccc1)C(=O)SCC(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(CC(=O)O)C(=O)SCC(=O)c2ccccc2 |
