sodium 3,3-dimethyl-6-[2-[2-[2-(4-nitrophenyl)ethanoylamino]phenyl]ethanoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-6-[2-[2-[2-(4-nitrophenyl)ethanoylamino]phenyl]ethanoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-6-[[2-[2-[[2-(4-nitrophenyl)acetyl]amino]phenyl]acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-6-[[2-[2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]phenyl]-1-oxoethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-6-[[2-[2-[[2-(4-nitrophenyl)acetyl]amino]phenyl]acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-[[2-[2-[[2-(4-nitrophenyl)acetyl]amino]phenyl]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C24H23N4NaO7S MolecularWeight: 534.51679

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)[O-])C.[Na+]

InChI

InChI=1S/C24H24N4O7S.Na/c1-24(2)20(23(32)33)27-21(31)19(22(27)36-24)26-18(30)12-14-5-3-4-6-16(14)25-17(29)11-13-7-9-15(10-8-13)28(34)35;/h3-10,19-20,22H,11-12H2,1-2H3,(H,25,29)(H,26,30)(H,32,33);/q;+1/p-1