[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[3-[(2-nitrophenyl)sulfanylamino]-2-oxidanylidene-3-prop-1-en-2-yl-4-sulfanyl-azetidin-1-yl]ethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[3-[(2-nitrophenyl)sulfanylamino]-2-oxidanylidene-3-prop-1-en-2-yl-4-sulfanyl-azetidin-1-yl]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[3-isopropenyl-3-[(2-nitrophenyl)sulfanylamino]-2-oxo-4-sulfanyl-azetidin-1-yl]acetate CAS Name: 2-[2-mercapto-3-(1-methylethenyl)-3-[[(2-nitrophenyl)thio]amino]-4-oxo-1-azetidinyl]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[3-[(2-nitrophenyl)sulfanylamino]-2-oxo-3-prop-1-en-2-yl-4-sulfanylazetidin-1-yl]acetate Traditional Name: 2-[3-isopropenyl-2-keto-4-mercapto-3-[[(2-nitrophenyl)thio]amino]azetidin-1-yl]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H20BrN3O6S2 MolecularWeight: 566.4447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(C(N(C1=O)CC(=O)OCC(=O)C2=CC=C(C=C2)Br)S)NSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=C)C1(C(N(C1=O)CC(=O)OCC(=O)C2=CC=C(C=C2)Br)S)NSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20BrN3O6S2/c1-13(2)22(24-34-18-6-4-3-5-16(18)26(30)31)20(29)25(21(22)33)11-19(28)32-12-17(27)14-7-9-15(23)10-8-14/h3-10,21,24,33H,1,11-12H2,2H3