QGW
概要
| 表記: | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
| 組成式: | C19 H19 N O4 S |
| 電荷: | 0 |
| 化学式量: | 357.423 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3 |
| InChIKey | InChI | 1.03 | NVGMNXGIQPMJSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3 |
| SMILES | CACTVS | 3.385 | CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C |
