4-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxidanylidene-azetidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxidanylidene-azetidin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxo-azetidin-2-yl]benzonitrile CAS Name: 4-[(2S,3R)-3-methoxy-1-(methylthio)-4-oxo-2-azetidinyl]benzonitrile IUPAC Name: 4-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxoazetidin-2-yl]benzonitrile Traditional Name: 4-[(2S,3R)-4-keto-3-methoxy-1-(methylthio)azetidin-2-yl]benzonitrile Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(N(C1=O)SC)C2=CC=C(C=C2)C#N

Isomeric SMILES

CO[C@@H]1[C@@H](N(C1=O)SC)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H12N2O2S/c1-16-11-10(14(17-2)12(11)15)9-5-3-8(7-13)4-6-9/h3-6,10-11H,1-2H3/t10-,11+/m0/s1