(2-cyano-4-thiabicyclo[3.3.0]octa-2,9-dien-3-yl)carbamoylmethyl 2-bromo-3,4,5-trimethoxy-benzoate
Molecular Formula:
C
20
H
19
BrN
2
O
6
S
InChI:
InChI=1/C20H19BrN2O6S/c1-26-13-7-11(16(21)18(28-3)17(13)27-2)20(25)29-9-15(24)23-19-12(8-22)10-5-4-6-14(10)30-19/h7H,4-6,9H2,1-3H3,(H,23,24)/f/h23H
InChIKey:
InChIKey=DBIGOZMOTWJVFV-MPIMZMORCA
SMILES:
COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N)Br)OC)OC
Names:
(2-cyano-4-thiabicyclo[3.3.0]octa-2,9-dien-3-yl)carbamoylmethyl 2-bromo-3,4,5-trimethoxy-benzoate
Registries:
PubChem CID 993407
PubChem ID 6572607