sodium (5S)-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5S)-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5S)-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5S)-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5S)-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5S)-7-keto-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H8NNaO3S MolecularWeight: 269.25159

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1[C@H]2N(C1=O)C(=C(S2)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H9NO3S.Na/c14-8-6-9-13(8)10(12(15)16)11(17-9)7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,15,16);/q;+1/p-1/t9-;/m0./s1