methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxidanylidene-3-phenoxy-azetidin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenoxy-azetidin-1-yl]but-2-enoate CAS Name: (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenoxy-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenoxyazetidin-1-yl]but-2-enoate Traditional Name: (E)-4-[(2R,3S)-2-ethynyl-4-keto-3-phenoxy-azetidin-1-yl]but-2-enoic acid methyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C(C(C1=O)OC2=CC=CC=C2)C#C

Isomeric SMILES

COC(=O)/C=C/CN1[C@@H]([C@@H](C1=O)OC2=CC=CC=C2)C#C

InChI

InChI=1S/C16H15NO4/c1-3-13-15(21-12-8-5-4-6-9-12)16(19)17(13)11-7-10-14(18)20-2/h1,4-10,13,15H,11H2,2H3/b10-7+/t13-,15+/m1/s1