(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171787 reference chebi:126071 formula C21H23N3OS global charge 0 mol weight 365.502 InChIKey OJTGKSLRGSSVTQ-AQNXPRMDSA-N InChI InChI=1S/C21H23N3OS/c1-2-17-13-26-21(23-17)24-18(11-22)20(19(24)12-25)16-9-7-15(8-10-16)14-5-3-4-6-14/h5,7-10,13,18-20,25H,2-4,6,12H2,1H3/t18-,19-,20+/m1/s1 SMILES CCC1=CSC(N2[C@H](C#N)[C@H](C3=CC=C(C4=CCCC4)C=C3)[C@H]2CO)=N1 MNX internals InChI (mnx) InChI=1/C21H23N3OS/c1-2-17-13-26-21(23-17)24-18(11-22)20(19(24)12-25)16-9-7-15(8-10-16)14-5-3-4-6-14/h5,7-10,13,18-20,25H,2-4,6,12H2,1H3/t18-,19-,20+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][C:17]1=[CH:13][S:26][C:21]([N:24]2[C@H:18]([C:11]#[N:22])[C@H:20]([C:16]3=[CH:10][CH:8]=[C:15]([C:14]4=[CH:5][CH2:3][CH2:4][CH2:6]4)[CH:7]=[CH:9]3)[C@H:19]2[CH2:12][OH:25])=[N:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0