sodium (5R,6Z)-7-oxidanylidene-6-(phenylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5R,6Z)-7-oxidanylidene-6-(phenylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5R,6Z)-6-benzylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5R,6Z)-7-oxo-6-(phenylmethylene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5R,6Z)-6-benzylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5R,6Z)-6-benzal-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H8NNaO3S MolecularWeight: 281.26229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C3N(C2=O)C(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\[C@@H]3N(C2=O)C(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H9NO3S.Na/c15-11-9(6-8-4-2-1-3-5-8)12-14(11)10(7-18-12)13(16)17;/h1-7,12H,(H,16,17);/q;+1/p-1/b9-6-;/t12-;/m1./s1