1-(18F)Fluoranyl-3-[[2-[(E)-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H18FN3O2S
Molecular Weight	382.442
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-(18F)Fluoranyl-3-[[2-[(E)-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol

Structure Search

SMILES

CNC1=NC=C(C=C1)C#C\C=C\C2=NC3=CC=C(OCC(O)C[18F])C=C3S2

InChI

InChIKey=GTSLERAOSMSMIY-JBQRLZFDSA-N

InChI=1S/C20H18FN3O2S/c1-22-19-9-6-14(12-23-19)4-2-3-5-20-24-17-8-7-16(10-18(17)27-20)26-13-15(25)11-21/h3,5-10,12,15,25H,11,13H2,1H3,(H,22,23)/b5-3+/i21-1

HIDE SMILES / InChI

Molecular Formula	C20H18FN3O2S
Molecular Weight	382.442
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:02:39 GMT 2025` Edited by `admin` on `Wed Apr 02 21:02:39 GMT 2025`
Record UNII	3XP68BB2YP
Record Status	`Validated (UNII)`
Record Version