[(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxidanylidene-3-prop-2-ynoxy-azetidin-2-yl]-3-phenyl-but-3-enyl] methanesulfonate

Systemtic Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxidanylidene-3-prop-2-ynoxy-azetidin-2-yl]-3-phenyl-but-3-enyl] methanesulfonate Openeye Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynoxy-azetidin-2-yl]-3-phenyl-but-3-enyl] methanesulfonate CAS Name: methanesulfonic acid [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynoxy-2-azetidinyl]-3-phenylbut-3-enyl] ester IUPAC Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynoxyazetidin-2-yl]-3-phenylbut-3-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-1-[(2R,3R)-4-keto-1-(4-methoxyphenyl)-3-propargyloxy-azetidin-2-yl]-3-phenyl-but-3-enyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)OCC#C)C(CC(=C)C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OCC#C)[C@@H](CC(=C)C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C24H25NO6S/c1-5-15-30-23-22(25(24(23)26)19-11-13-20(29-3)14-12-19)21(31-32(4,27)28)16-17(2)18-9-7-6-8-10-18/h1,6-14,21-23H,2,15-16H2,3-4H3/t21-,22+,23-/m1/s1