Catalog Number:
AG009CKP
Chemical Name:
Yho-13351
CAS Number:
1346753-00-1
Molecular Formula:
C27H37N3O7S2
Molecular Weight:
579.7286
MDL Number:
MFCD28900681
IUPAC Name:
[1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] 2-(diethylamino)acetate;methanesulfonic acid
InChI:
InChI=1S/C26H33N3O4S.CH4O3S/c1-5-28(6-2)18-26(30)33-21-11-13-29(14-12-21)25-10-8-22(34-25)15-20(17-27)19-7-9-23(31-3)24(16-19)32-4;1-5(2,3)4/h7-10,15-16,21H,5-6,11-14,18H2,1-4H3;1H3,(H,2,3,4)/b20-15+;
InChI Key:
XOEIHKAPFXUACW-QMGGKDRNSA-N
SMILES:
CS(=O)(=O)O.CCN(CC(=O)OC1CCN(CC1)c1ccc(s1)/C=C(/c1ccc(c(c1)OC)OC)\C#N)CC
