[4-[(Z)-(8-ethyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]-2-methoxy-phenyl] 4-fluorobenzoate
Molecular Formula:
C
22
H
17
FN
4
O
4
S
InChI:
InChI=1/C22H17FN4O4S/c1-3-18-26-27-19(24)15(20(28)25-22(27)32-18)10-12-4-9-16(17(11-12)30-2)31-21(29)13-5-7-14(23)8-6-13/h4-11,24H,3H2,1-2H3/b15-10-,24-19-
InChIKey:
InChIKey=WKSHBLAIIYWNEE-DPLVXZGFBD
SMILES:
CCC1=NN2C(=N)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)F)OC)C(=O)N=C2S1
Names:
[4-[(Z)-(8-ethyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]-2-methoxy-phenyl] 4-fluorobenzoate
Registries:
PubChem CID 5349411
PubChem ID 11578125