diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-yl-but-1-enyl]azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Molecular Formula:
C
22
H
25
NO
5
S
InChI:
InChI=1/C18H21NOS.C4H4O4/c1-3-19(4-2)13-12-16(20)18(17-11-8-14-21-17)15-9-6-5-7-10-15;5-3(6)1-2-4(7)8/h5-14,18H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b13-12+;2-1-/fC18H22NOS.C4H3O4/h19H;5H/q+1;-1
InChIKey:
InChIKey=DTKNHRXFXPFUNE-UXJHUYTIDH
SMILES:
CC[NH+](CC)C=CC(=O)C(C1=CC=CC=C1)C2=CC=CS2.C(=CC(=O)[O-])C(=O)O
Names:
diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-yl-but-1-enyl]azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Registries:
PubChem CID 6435615
PubChem ID 11621538