cyclopropylmethyl [3-acetamido-1-[(E)-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-[(E)-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-[(1E)-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-[(E)-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-[(E)-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-[(E)-1-acetyl-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: C27H27N3O10S MolecularWeight: 585.58238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)C)SC(=O)OCC3CC3.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)/C(=C(/O)\OCC1=CC=C(C=C1)[N+](=O)[O-])/N2C(C(C2=O)NC(=O)C)SC(=O)OCC3CC3.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C21H23N3O9S.C6H4O/c1-11(25)17(20(28)32-9-14-5-7-15(8-6-14)24(30)31)23-18(27)16(22-12(2)26)19(23)34-21(29)33-10-13-3-4-13;1-2-5-4-6(3-1)7-5/h5-8,13,16,19,28H,3-4,9-10H2,1-2H3,(H,22,26);1-4H/b20-17+;