(phenylmethyl) [3-acetamido-1-[(Z)-4-bromanyl-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]sulfanylmethanoate

Systemtic Name: (phenylmethyl) [3-acetamido-1-[(Z)-4-bromanyl-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]sulfanylmethanoate Openeye Name: benzyl [3-acetamido-1-[(1Z)-3-bromo-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-propyl]-4-oxo-azetidin-2-yl]sulfanylformate CAS Name: [[3-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxo-2-azetidinyl]thio]formic acid (phenylmethyl) ester IUPAC Name: benzyl [3-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl]sulfanylformate Traditional Name: [[3-acetamido-1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-(4-nitrobenzyl)oxy-vinyl]-4-keto-azetidin-2-yl]thio]formic acid benzyl ester Formula: C24H22BrN3O9S MolecularWeight: 608.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(=C(O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr)SC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/O)\OCC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)CBr)SC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O9S/c1-14(29)26-19-21(31)27(22(19)38-24(33)37-13-15-5-3-2-4-6-15)20(18(30)11-25)23(32)36-12-16-7-9-17(10-8-16)28(34)35/h2-10,19,22,32H,11-13H2,1H3,(H,26,29)/b23-20-