N-[1-[(Z)-4-bromanyl-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]ethanamide

Systemtic Name: N-[1-[(Z)-4-bromanyl-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]ethanamide Openeye Name: N-[1-[(1Z)-3-bromo-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-propyl]-2-oxo-4-sulfanyl-azetidin-3-yl]acetamide CAS Name: N-[1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-2-mercapto-4-oxo-3-azetidinyl]acetamide IUPAC Name: N-[1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-2-oxo-4-sulfanylazetidin-3-yl]acetamide Traditional Name: N-[1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-(4-nitrobenzyl)oxy-vinyl]-2-keto-4-mercapto-azetidin-3-yl]acetamide Formula: C16H16BrN3O7S MolecularWeight: 474.28314

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O7S/c1-8(21)18-12-14(23)19(15(12)28)13(11(22)6-17)16(24)27-7-9-2-4-10(5-3-9)20(25)26/h2-5,12,15,24,28H,6-7H2,1H3,(H,18,21)/b16-13-