prop-2-enyl (8Z)-2-(4-acetyloxy-3-methoxy-phenyl)-8-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Molecular Formula:
C
36
H
29
FN
4
O
6
S
InChI:
InChI=1/C36H29FN4O6S/c1-5-17-46-35(44)31-21(2)38-36-41(33(31)24-13-16-28(47-22(3)42)29(18-24)45-4)34(43)30(48-36)19-25-20-40(27-9-7-6-8-10-27)39-32(25)23-11-14-26(37)15-12-23/h5-16,18-20,33H,1,17H2,2-4H3/b30-19-
InChIKey:
InChIKey=OIEXVMGEARCXMQ-FSGOGVSDBT
SMILES:
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)SC2=N1)C6=CC(=C(C=C6)OC(=O)C)OC)C(=O)OCC=C
Names:
prop-2-enyl (8Z)-2-(4-acetyloxy-3-methoxy-phenyl)-8-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Registries:
PubChem CID 6291355
PubChem ID 11590516