(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

Properties Image MNX_ID MNXM171763 reference chebi:97983 formula C16H17N3OS global charge 0 mol weight 299.399 InChIKey AVGQIEGBBUBHIP-KFWWJZLASA-N InChI InChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15+/m1/s1 SMILES CC1=C(C)SC(N2[C@H](C#N)[C@H](C3=CC=CC=C3)[C@H]2CO)=N1 MNX internals InChI (mnx) InChI=1/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15+/m1/s1 SMILES (mnx) [CH3:1][C:10]1=[C:11]([CH3:2])[S:21][C:16]([N:19]2[C@H:13]([C:8]#[N:17])[C@H:15]([C:12]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[C@H:14]2[CH2:9][OH:20])=[N:18]1

Parent-child relations graph

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