6EV
概要
| 表記: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one |
| 組成式: | C10 H8 O S2 |
| 電荷: | 0 |
| 化学式量: | 208.3 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 | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one |
| OpenEye OEToolkits | 2.0.4 | 5-methylidene-3-methylsulfanyl-2-benzothiophen-4-one |
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=C2/C=Cc1csc(SC)c1C2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H8OS2/c1-6-3-4-7-5-13-10(12-2)8(7)9(6)11/h3-5H,1H2,2H3 |
| InChIKey | InChI | 1.03 | BRJSKZMFXIHQOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1scc2C=CC(=C)C(=O)c12 |
| SMILES | CACTVS | 3.385 | CSc1scc2C=CC(=C)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CSc1c2c(cs1)C=CC(=C)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CSc1c2c(cs1)C=CC(=C)C2=O |
