中文摘要：

设计、合成了三类C（3）酯基取代的1,5-苯并硫氮杂卓衍生物：2,3/2,5-二氢和2,3,4,5-四氢-1,5-苯并硫氮杂卓-3-甲酸乙酯,采用元素分析、IR、MS、1HNMR及X射线衍射法确定了标题化合物的分子结构.结构分析表明,2,5-二氢-1,5-苯并硫氮杂卓-3-甲酸乙酯属单斜晶系,C2/c空间群,晶胞参数为：a=2.0319（4）nm,b=1.4985（3）nm,c=1.3659（3）nm,α=90°,β=120.49（3）°,γ=90°,V=3.5840（12）nm3,Z=8,Dc=1.397g/cm3,μ=0.351mm-1,F（000）=1560,R=0.0478,Rw=0.1304;研究了2,3/2,5-二氢-1,5-苯并硫氮杂卓的合成反应条件,发现该两种互变异构体分别是速度控制产物和平衡控制产物;抑菌活性及抑真菌构效关系研究表明,亚胺型的2,3-二氢-1,5-苯并硫氮杂卓具有明显的抑菌活性,亚胺官能团是其抑真菌的药效团.

英文摘要：

Three kinds of 3-ethoxycarbonyl-1,5-benzothiazepines were designed, synthesized and structurally confirmed by elemental analysis, IR, 1H NMR, MS and X-ray diffraction. The crystal of compound 5b belongs to monoclinic, space group C2/c with unit cell dimensions a=2.0319（4） nm, b=1.4985（3） nm, c= 1.3659（3） nm, α=90°, β=120.49（3）°, γ=90°, V=3.5840（12） nm^3, Z=8, Dc=1.397 g/cm^3, μ=0.351 mm^-1, F（000）=1560, R=0.0478, and Rw=0.1304. Studies on the synthesis conditions of 2,3/2,5-dihydro-1,5-benzothiazepines that are imine-enaminetautomers were speed control and balance control products respectively. The biological evaluation of those compounds showed that 1,5-benzothiazepines with C=N group had moderate to excellent antimicrobial activities and the C=N double bond in the newly synthesized compounds was the key function group for their antifungal activities.