| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2COC4=NS(=O)(=O)c3ccccc34 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2[C@H](COC3=N[S](=O)(=O)c4ccccc34)OCCc2c1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2[CH](COC3=N[S](=O)(=O)c4ccccc34)OCCc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=NS2(=O)=O)OCC3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | MDYIGSPVMWSFEZ-JTQLQIEISA-N |
