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

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[(2-phenylphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-7-oxo-6-[[oxo-(2-phenylphenyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H19N2NaO4S MolecularWeight: 418.44133

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C21H20N2O4S.Na/c1-21(2)16(20(26)27)23-18(25)15(19(23)28-21)22-17(24)14-11-7-6-10-13(14)12-8-4-3-5-9-12;/h3-11,15-16,19H,1-2H3,(H,22,24)(H,26,27);/q;+1/p-1