Q5F
概要
表記: | N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide |
組成式: | C14 H14 Cl N O2 S |
電荷: | 0 |
化学式量: | 295.784 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide |
OpenEye OEToolkits | 2.0.6 | ~{N}-[2-(4-chloranyl-2-methyl-phenoxy)ethyl]thiophene-2-carboxamide |
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 | 12.01 | C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O |
InChI | InChI | 1.03 | InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17) |
InChIKey | InChI | 1.03 | RULQUKFOBAPKKR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2 |
SMILES | CACTVS | 3.385 | Cc1cc(Cl)ccc1OCCNC(=O)c2sccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl |