| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(N=[C@H]S)ccc1C2=C4C(Oc3c2ccc(c3)O)=CC(=O)C=C4 |
| InChI | InChI | 1.03 | InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26) |
| InChIKey | InChI | 1.03 | KDFRZGWCOSXMPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N=CS |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N=CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1N=CS)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O |
