(diphenylmethyl) (2R)-3-methyl-2-[(2R)-2-methylsulfonylsulfanyl-4-oxidanylidene-azetidin-1-yl]but-3-enoate

Systemtic Name: (diphenylmethyl) (2R)-3-methyl-2-[(2R)-2-methylsulfonylsulfanyl-4-oxidanylidene-azetidin-1-yl]but-3-enoate Openeye Name: benzhydryl (2R)-3-methyl-2-[(2R)-2-methylsulfonylsulfanyl-4-oxo-azetidin-1-yl]but-3-enoate CAS Name: (2R)-3-methyl-2-[(2R)-2-(methylsulfonylthio)-4-oxo-1-azetidinyl]-3-butenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2R)-3-methyl-2-[(2R)-2-methylsulfonylsulfanyl-4-oxoazetidin-1-yl]but-3-enoate Traditional Name: (2R)-2-[(4R)-2-keto-4-(mesylthio)azetidin-1-yl]-3-methyl-but-3-enoic acid benzhydryl ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(CC3=O)SS(=O)(=O)C

Isomeric SMILES

CC(=C)[C@H](C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H](CC3=O)SS(=O)(=O)C

InChI

InChI=1S/C22H23NO5S2/c1-15(2)20(23-18(24)14-19(23)29-30(3,26)27)22(25)28-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19-21H,1,14H2,2-3H3/t19-,20-/m1/s1