(phenylmethyl) 2-[(2R,3R)-3-bromanyl-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[(2R,3R)-3-bromanyl-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[(2R,3R)-3-bromo-2-methylsulfonyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R,3R)-3-bromo-2-methylsulfonyl-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R,3R)-3-bromo-2-methylsulfonyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(3R,4R)-3-bromo-2-keto-4-mesyl-azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C16H18BrNO5S MolecularWeight: 416.28682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)Br)S(=O)(=O)C)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2[C@@H]([C@@H](C2=O)Br)S(=O)(=O)C)C

InChI

InChI=1S/C16H18BrNO5S/c1-10(2)13(16(20)23-9-11-7-5-4-6-8-11)18-14(19)12(17)15(18)24(3,21)22/h4-8,12,15H,9H2,1-3H3/t12-,15-/m1/s1