S-[1-[4-bromanyl-1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-3-(2,2-dimethyl-3-nitroso-5-oxidanylidene-4-phenyl-imidazolidin-1-yl)-4-oxidanylidene-azetidin-2-yl] methanethioate

Systemtic Name: S-[1-[4-bromanyl-1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-3-(2,2-dimethyl-3-nitroso-5-oxidanylidene-4-phenyl-imidazolidin-1-yl)-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[1-[3-bromo-1-(dihydroxymethylene)-2-oxo-propyl]-3-(2,2-dimethyl-3-nitroso-5-oxo-4-phenyl-imidazolidin-1-yl)-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-3-(2,2-dimethyl-3-nitroso-5-oxo-4-phenyl-1-imidazolidinyl)-4-oxo-2-azetidinyl] ester IUPAC Name: S-[1-(4-bromo-1,1-dihydroxy-3-oxobut-1-en-2-yl)-3-(2,2-dimethyl-3-nitroso-5-oxo-4-phenylimidazolidin-1-yl)-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[1-(2-bromoacetyl)-2,2-dihydroxy-vinyl]-4-keto-3-(5-keto-2,2-dimethyl-3-nitroso-4-phenyl-imidazolidin-1-yl)azetidin-2-yl] ester Formula: C19H19BrN4O7S MolecularWeight: 527.34576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(=O)C(N1N=O)C2=CC=CC=C2)C3C(N(C3=O)C(=C(O)O)C(=O)CBr)SC=O)C

Isomeric SMILES

CC1(N(C(=O)C(N1N=O)C2=CC=CC=C2)C3C(N(C3=O)C(=C(O)O)C(=O)CBr)SC=O)C

InChI

InChI=1S/C19H19BrN4O7S/c1-19(2)23(16(28)12(24(19)21-31)10-6-4-3-5-7-10)14-15(27)22(17(14)32-9-25)13(18(29)30)11(26)8-20/h3-7,9,12,14,17,29-30H,8H2,1-2H3