CBE
概要
| 表記: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE |
| 別名: | 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID CARBOXIN; CBX |
| 組成式: | C12 H13 N O2 S |
| 電荷: | 0 |
| 化学式量: | 235.302 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 | 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-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 | 10.04 | O=C(C=1SCCOC=1C)Nc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(SCCO1)C(=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.341 | CC1=C(SCCO1)C(=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(SCCO1)C(=O)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(SCCO1)C(=O)Nc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
