2-methylpropyl (8Z)-2-(4-methoxycarbonylphenyl)-4-methyl-9-oxo-8-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Molecular Formula:
C
39
H
36
N
4
O
6
S
InChI:
InChI=1/C39H36N4O6S/c1-6-20-48-31-18-16-26(17-19-31)34-29(22-42(41-34)30-10-8-7-9-11-30)21-32-36(44)43-35(27-12-14-28(15-13-27)37(45)47-5)33(25(4)40-39(43)50-32)38(46)49-23-24(2)3/h6-19,21-22,24,35H,1,20,23H2,2-5H3/b32-21-
InChIKey:
InChIKey=BRDKEUWKQGAAMA-QXPFVDMIBQ
SMILES:
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)C(=O)OC)C(=O)OCC(C)C
Names:
2-methylpropyl (8Z)-2-(4-methoxycarbonylphenyl)-4-methyl-9-oxo-8-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Registries:
PubChem CID 6302108
PubChem ID 11594324