RNA
概要
表記: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE |
別名: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE |
組成式: | C16 H14 N2 O4 S2 |
電荷: | 0 |
化学式量: | 362.423 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
OpenEye OEToolkits | 1.5.0 | 4-methyl-N-[5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]benzenesulfonamide |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1N=C(S/C1=C\c2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1oc(cc1)\C=C2/SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3 |
SMILES | CACTVS | 3.341 | Cc1oc(cc1)C=C2SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2 |
InChI | InChI | 1.03 | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- |
InChIKey | InChI | 1.03 | MXAPQGDBWFYKKX-ZROIWOOFSA-N |