(4-nitrophenyl)methyl 2-[3,3-bis(bromanyl)-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[3,3-bis(bromanyl)-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-3,3-dibromo-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-[2-(acetylthio)-3,3-dibromo-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-acetylsulfanyl-3,3-dibromo-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-[2-(acetylthio)-3,3-dibromo-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H16Br2N2O6S MolecularWeight: 536.19174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)(Br)Br)SC(=O)C

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)(Br)Br)SC(=O)C

InChI

InChI=1S/C17H16Br2N2O6S/c1-9(2)13(20-15(24)17(18,19)16(20)28-10(3)22)14(23)27-8-11-4-6-12(7-5-11)21(25)26/h4-7,13,16H,1,8H2,2-3H3