| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)CN1Cc2cc(ccc2SCC1)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H19NO3S/c1-22-16-6-7-17-15(10-16)12-19(8-9-23-17)11-13-2-4-14(5-3-13)18(20)21/h2-7,10H,8-9,11-12H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | JIGDAUOKKYKRKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2SCCN(Cc3ccc(cc3)C(O)=O)Cc2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2SCCN(Cc3ccc(cc3)C(O)=O)Cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)CN(CCS2)Cc3ccc(cc3)C(=O)O |
