[(Z)-2-[3-(aminocarbonylamino)-2-methanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-4-bromanyl-1-oxidanyl-3-oxidanylidene-but-1-enoxy]methyl ethanoate

Systemtic Name: [(Z)-2-[3-(aminocarbonylamino)-2-methanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-4-bromanyl-1-oxidanyl-3-oxidanylidene-but-1-enoxy]methyl ethanoate Openeye Name: [(Z)-4-bromo-2-(2-formylsulfanyl-4-oxo-3-ureido-azetidin-1-yl)-1-hydroxy-3-oxo-but-1-enoxy]methyl acetate CAS Name: acetic acid [(Z)-4-bromo-2-[3-(carbamoylamino)-2-(formylthio)-4-oxo-1-azetidinyl]-1-hydroxy-3-oxobut-1-enoxy]methyl ester IUPAC Name: [(Z)-4-bromo-2-[3-(carbamoylamino)-2-formylsulfanyl-4-oxoazetidin-1-yl]-1-hydroxy-3-oxobut-1-enoxy]methyl acetate Traditional Name: acetic acid [(Z)-4-bromo-2-[2-(formylthio)-4-keto-3-ureido-azetidin-1-yl]-1-hydroxy-3-keto-but-1-enoxy]methyl ester Formula: C12H14BrN3O8S MolecularWeight: 440.22386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=C(C(=O)CBr)N1C(C(C1=O)NC(=O)N)SC=O)O

Isomeric SMILES

CC(=O)OCO/C(=C(/C(=O)CBr)\N1C(C(C1=O)NC(=O)N)SC=O)/O

InChI

InChI=1S/C12H14BrN3O8S/c1-5(18)23-4-24-11(21)8(6(19)2-13)16-9(20)7(15-12(14)22)10(16)25-3-17/h3,7,10,21H,2,4H2,1H3,(H3,14,15,22)/b11-8-