(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯结构式

(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯
中文名称:(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯
英文名称:tert-Butyl (R)-(8-chloro-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)carbamate
CAS No.:958489-51-5
分子式:C14H17ClN2O3S 分子量:328.81
(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯 数据
Mol:
0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -2.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -2.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894   -2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6248   -1.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 21  1  0  0  0  0
 20 18  1  0  0  0  0
 15  1  1  0     0  0
M  END
                                
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(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯 Smile 编码:
N(C(OC(C)(C)C)=O)[C@@H]1C(=O)NC2=CC=C(Cl)C=C2SC1
(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯 InChi 编码:
1S/C14H17ClN2O3S/c1-14(2,3)20-13(19)17-10-7-21-11-6-8(15)4-5-9(11)16-12(10)18/h4-6,10H,7H2,1-3H3,(H,16,18)(H,17,19)/t10-/m0/s1
(R)-(8-氯-4-氧代-2,3,4,5-四氢-1,5-苯并噻嗪-3-基)氨基甲酸叔丁酯 InChiKey 编码:
IOZGQFJVARRTDL-JTQLQIEISA-N