cyclopropylmethyl [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; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: cyclopropylmethyl [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; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: cyclopropylmethyl [3-acetamido-1-[(1Z)-3-bromo-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-propyl]-4-oxo-azetidin-2-yl]sulfanylformate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene 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 cyclopropylmethyl ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: cyclopropylmethyl [3-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl]sulfanylformate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: [[3-acetamido-1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-(4-nitrobenzyl)oxy-vinyl]-4-keto-azetidin-2-yl]thio]formic acid cyclopropylmethyl ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C27H26BrN3O10S MolecularWeight: 664.47844

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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)OCC3CC3.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/O)\OCC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)CBr)SC(=O)OCC3CC3.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C21H22BrN3O9S.C6H4O/c1-11(26)23-16-18(28)24(19(16)35-21(30)34-10-12-2-3-12)17(15(27)8-22)20(29)33-9-13-4-6-14(7-5-13)25(31)32;1-2-5-4-6(3-1)7-5/h4-7,12,16,19,29H,2-3,8-10H2,1H3,(H,23,26);1-4H/b20-17-;