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

Systemtic Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxidanylidene-3-prop-2-ynyl-azetidin-2-yl]but-3-enyl] methanesulfonate Openeye Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynyl-azetidin-2-yl]but-3-enyl] methanesulfonate CAS Name: methanesulfonic acid [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynyl-2-azetidinyl]but-3-enyl] ester IUPAC Name: [(1R)-1-[(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynylazetidin-2-yl]but-3-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-1-[(2R,3R)-4-keto-1-(4-methoxyphenyl)-3-propargyl-azetidin-2-yl]but-3-enyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-5-7-15-17(16(8-6-2)24-25(4,21)22)19(18(15)20)13-9-11-14(23-3)12-10-13/h1,6,9-12,15-17H,2,7-8H2,3-4H3/t15-,16-,17-/m1/s1