Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看![1,1-Dimethylethyl 4-[(6-bromo-1,2-dihydro-1-oxo-4-isoquinolinyl)thio]-1-piperidinecarboxylate 分子结构式](/api/mol/67130258/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1CCC(Sc2c[nH]c(=O)c3ccc(Br)cc23)CC1
- InChIKey
- NLXUTLGBRXWPPH-UHFFFAOYSA-N
- 分子式
- C19H23BrN2O3S
- 平均分子量
- 439.375 g/mol
- 单同位素质量
- 438.0612757
扩展信息尚未完成同步。
REACTIONS
