種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |
SMILES | CACTVS | 3.341 | COc1ccc2NC(=S)[CH](CSC)N(C(=O)OC(C)C)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)OC(=O)N1c2cc(ccc2NC(=S)C1CSC)OC |
InChI | InChI | 1.03 | InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | GWKIPRVERALPRD-ZDUSSCGKSA-N |