sodium (E)-3-acetyloxy-4-bromanyl-2-[2-(2-methylpropanoylsulfanyl)-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-azetidin-1-yl]but-2-enoate

Systemtic Name: sodium (E)-3-acetyloxy-4-bromanyl-2-[2-(2-methylpropanoylsulfanyl)-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-azetidin-1-yl]but-2-enoate Openeye Name: sodium (E)-3-acetoxy-4-bromo-2-[2-(2-methylpropanoylsulfanyl)-3-[(2-nitrophenyl)sulfanylamino]-4-oxo-azetidin-1-yl]but-2-enoate CAS Name: sodium (E)-3-acetyloxy-4-bromo-2-[2-[(2-methyl-1-oxopropyl)thio]-3-[[(2-nitrophenyl)thio]amino]-4-oxo-1-azetidinyl]-2-butenoate IUPAC Name: sodium (E)-3-acetyloxy-4-bromo-2-[2-(2-methylpropanoylsulfanyl)-3-[(2-nitrophenyl)sulfanylamino]-4-oxoazetidin-1-yl]but-2-enoate Traditional Name: sodium (E)-3-acetoxy-4-bromo-2-[2-(isobutyrylthio)-4-keto-3-[[(2-nitrophenyl)thio]amino]azetidin-1-yl]but-2-enoate Formula: C19H19BrN3NaO8S2 MolecularWeight: 584.39323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SC1C(C(=O)N1C(=C(CBr)OC(=O)C)C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-].[Na+]

Isomeric SMILES

CC(C)C(=O)SC1C(C(=O)N1/C(=C(\CBr)/OC(=O)C)/C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-].[Na+]

InChI

InChI=1S/C19H20BrN3O8S2.Na/c1-9(2)19(28)32-17-14(21-33-13-7-5-4-6-11(13)23(29)30)16(25)22(17)15(18(26)27)12(8-20)31-10(3)24;/h4-7,9,14,17,21H,8H2,1-3H3,(H,26,27);/q;+1/p-1/b15-12+;