| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | PPMCZEBJGJNUJF-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=C2SC[C@H](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O |
| SMILES | CACTVS | 3.385 | COC1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4 |
