[(2S,4R,5R)-2-methyl-5-(4-oxidanylidene-3-propan-2-ylidene-azetidin-2-yl)oxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R,5R)-2-methyl-5-(4-oxidanylidene-3-propan-2-ylidene-azetidin-2-yl)oxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,4R,5R)-5-(3-isopropylidene-4-oxo-azetidin-2-yl)oxy-2-methyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R,5R)-2-methyl-5-[(4-oxo-3-propan-2-ylidene-2-azetidinyl)oxy]-1,3-dioxan-4-yl]methyl ester IUPAC Name: [(2S,4R,5R)-2-methyl-5-(4-oxo-3-propan-2-ylideneazetidin-2-yl)oxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R,5R)-5-(3-isopropylidene-4-keto-azetidin-2-yl)oxy-2-methyl-1,3-dioxan-4-yl]methyl ester Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(C(O1)COS(=O)(=O)C2=CC=C(C=C2)C)OC3C(=C(C)C)C(=O)N3

Isomeric SMILES

C[C@H]1OC[C@H]([C@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C)OC3C(=C(C)C)C(=O)N3

InChI

InChI=1S/C19H25NO7S/c1-11(2)17-18(21)20-19(17)27-15-9-24-13(4)26-16(15)10-25-28(22,23)14-7-5-12(3)6-8-14/h5-8,13,15-16,19H,9-10H2,1-4H3,(H,20,21)/t13-,15+,16+,19?/m0/s1