主记录
AC1M2LUI
- CAS
- 634578-22-6
- PubChem CID
- 2146694
- SMILES
- C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)/C#N)C(=O)N
- 分子式
- C26H20N4O3S
- 分子量
- 468.538
- 精确分子量
- 468.1256
- InChI
- InChI=1S/C26H20N4O3S/c27-14-17(25(32)29-26-22(24(28)31)18-8-4-5-9-21(18)34-26)12-15-10-11-20-19(13-15)23(33-30-20)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9H2,(H2,28,31)(H,29,32)/b17-12+
- InChIKey
- LLRPEIAQJXYURD-SFQUDFHCSA-N
- LogP
- 5.0797
- TPSA
- 122.01
名称与别名
- AC1M2LUI
- SMSSF-0042685
- ZINC2708498
- ZINC02708498
- AKOS002775634
- CID2146694
- F1736-1702
- 634578-22-6
- 2-[(2E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- (E)-2-(2-cyano-3-(3-phenylbenzo[c]isoxazol-5-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
- 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 2-[(E)-1-cyano-2-(3-phenyl-2,1-benzisoxazol-5-yl)ethenylcarbonylamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarboxamide