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

Systemtic Name: methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxidanylidene-3-phenylmethoxy-azetidin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2R,3S)-3-benzyloxy-2-ethynyl-4-oxo-azetidin-1-yl]but-2-enoate CAS Name: (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenylmethoxy-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenylmethoxyazetidin-1-yl]but-2-enoate Traditional Name: (E)-4-[(2R,3S)-3-benzoxy-2-ethynyl-4-keto-azetidin-1-yl]but-2-enoic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C(C(C1=O)OCC2=CC=CC=C2)C#C

Isomeric SMILES

COC(=O)/C=C/CN1[C@@H]([C@@H](C1=O)OCC2=CC=CC=C2)C#C

InChI

InChI=1S/C17H17NO4/c1-3-14-16(22-12-13-8-5-4-6-9-13)17(20)18(14)11-7-10-15(19)21-2/h1,4-10,14,16H,11-12H2,2H3/b10-7+/t14-,16+/m1/s1