| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3C=C(C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c5ccccc5ccc6 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@@H]1[C@H](SC2=C(C3CC3)C(=CC(=O)N12)Cc4cccc5ccccc45)c6ccccc6 |
| SMILES | CACTVS | 3.352 | OC(=O)[CH]1[CH](SC2=C(C3CC3)C(=CC(=O)N12)Cc4cccc5ccccc45)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C2C(N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C28H23NO3S/c30-23-16-21(15-20-11-6-10-17-7-4-5-12-22(17)20)24(18-13-14-18)27-29(23)25(28(31)32)26(33-27)19-8-2-1-3-9-19/h1-12,16,18,25-26H,13-15H2,(H,31,32)/t25-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | QSGWJHVTILGJTA-IZZNHLLZSA-N |
