ethyl 4-[(3-cyano-2-phenyl-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]-3-oxo-butanoate
Molecular Formula:
C
21
H
20
N
2
O
3
S
InChI:
InChI=1/C21H20N2O3S/c1-2-26-19(25)11-15(24)13-27-21-17(12-22)20(14-7-4-3-5-8-14)16-9-6-10-18(16)23-21/h3-5,7-8H,2,6,9-11,13H2,1H3
InChIKey:
InChIKey=UUQHPOWETLZTMT-UHFFFAOYAW
SMILES:
CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CC=C3
Names:
ethyl 4-[(3-cyano-2-phenyl-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]-3-oxo-butanoate
Registries:
PubChem CID 3396356
PubChem ID 11564969