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

Systemtic Name: S-[3-acetamido-1-[(Z)-4-bromanyl-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[3-acetamido-1-[(1Z)-3-bromo-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[3-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[3-acetamido-1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-(4-nitrobenzyl)oxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C17H16BrN3O8S MolecularWeight: 502.29324

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O8S/c1-9(23)19-13-15(25)20(16(13)30-8-22)14(12(24)6-18)17(26)29-7-10-2-4-11(5-3-10)21(27)28/h2-5,8,13,16,26H,6-7H2,1H3,(H,19,23)/b17-14-