| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H16N2O3S/c1-3-4-13-7-10-16-18(12(13)2)21-17(22-19(16)23)11-26-15-8-5-14(6-9-15)20(24)25/h5-10H,11H2,1-2H3,(H,24,25)(H,21,22,23) |
| InChIKey | InChI | 1.03 | RMIJZTKTCJJVSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O |
