K1Y
概要
| 表記: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
| 組成式: | C12 H12 N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 248.301 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 | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
| OpenEye OEToolkits | 2.0.6 | methyl ~{N}-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
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 | n1c(C)sc(c1c2ccccc2)NC(OC)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | WVXKXRCDQRXTDH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1sc(C)nc1c2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)Nc1sc(C)nc1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(c(s1)NC(=O)OC)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(c(s1)NC(=O)OC)c2ccccc2 |
