EHB
概要
| 表記: | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one |
| 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 | 12.01 | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one |
| OpenEye OEToolkits | 1.7.0 | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-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 | O=C(\C=C2/Sc1ccc(O)cc1N2CC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN1\C(Sc2ccc(O)cc12)=C\C(C)=O |
| SMILES | CACTVS | 3.370 | CCN1C(Sc2ccc(O)cc12)=CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN\1c2cc(ccc2S/C1=C\C(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCN1c2cc(ccc2SC1=CC(=O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6- |
| InChIKey | InChI | 1.03 | GCSZJMUFYOAHFY-SDQBBNPISA-N |
