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

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[(2-phenyl-1-benzofuran-3-yl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-7-oxo-6-[(2-phenylbenzofuran-3-carbonyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-7-oxo-6-[[oxo-(2-phenyl-3-benzofuranyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-7-oxo-6-[(2-phenyl-1-benzofuran-3-carbonyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-[(2-phenylbenzofuran-3-carbonyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C23H19N2NaO5S MolecularWeight: 458.46213

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(OC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(OC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H20N2O5S.Na/c1-23(2)18(22(28)29)25-20(27)16(21(25)31-23)24-19(26)15-13-10-6-7-11-14(13)30-17(15)12-8-4-3-5-9-12;/h3-11,16,18,21H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1