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

Systemtic Name: (phenylmethyl) 2-[(2R)-3,3-bis(bromanyl)-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[(2R)-3,3-dibromo-2-methylsulfonyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R)-3,3-dibromo-2-methylsulfonyl-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R)-3,3-dibromo-2-methylsulfonyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(4R)-3,3-dibromo-2-keto-4-mesyl-azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C16H17Br2NO5S MolecularWeight: 495.18288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Br2NO5S/c1-10(2)12(13(20)24-9-11-7-5-4-6-8-11)19-14(21)16(17,18)15(19)25(3,22)23/h4-8,15H,9H2,1-3H3/t15-/m1/s1