種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18) |
InChIKey | InChI | 1.03 | XSKZXGDFSCCXQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1csc(C)c1[S](=O)(=O)NC(=O)N2N=C(OC)N(C)C2=O |
SMILES | CACTVS | 3.385 | COC(=O)c1csc(C)c1[S](=O)(=O)NC(=O)N2N=C(OC)N(C)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C |
SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C |