Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C14H11FN4O3S/c15-8-4-10-9(17-6-18-10)3-7(8)13(20)16-2-1-12-19-11(5-23-12)14(21)22/h3-6H,1-2H2,(H,16,20)(H,17,18)(H,21,22) |
InChIKey | InChI | 1.06 | MWIHDBPJGZGAQB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1 |
SMILES | CACTVS | 3.385 | OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs3)C(=O)O |