| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C=1N2C(=O)C(NC(=O)Cc3cccs3)(OC)C2SCC=1COC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1 |
| InChIKey | InChI | 1.06 | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@]1(NC(=O)Cc2sccc2)[C@H]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O |
| SMILES | CACTVS | 3.385 | CO[C]1(NC(=O)Cc2sccc2)[CH]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3 |
