[(2S,3R)-1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-methoxy-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-methoxy-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-1-[(1Z)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-3-methoxy-4-oxo-azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-1-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-methoxy-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [(2S,3R)-1-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-methoxy-4-oxoazetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-1-[(Z)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-4-keto-3-methoxy-azetidin-2-yl]methyl ester Formula: C18H23NO8S MolecularWeight: 413.44212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)N1C(C(C1=O)OC)COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCO/C(=C(/C(=O)C)\N1[C@H]([C@H](C1=O)OC)COS(=O)(=O)C2=CC=C(C=C2)C)/O

InChI

InChI=1S/C18H23NO8S/c1-5-26-18(22)15(12(3)20)19-14(16(25-4)17(19)21)10-27-28(23,24)13-8-6-11(2)7-9-13/h6-9,14,16,22H,5,10H2,1-4H3/b18-15-/t14-,16+/m0/s1