sodium (5S,6E)-6-ethylidene-7-oxidanylidene-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5S,6E)-6-ethylidene-7-oxidanylidene-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5S,6E)-6-ethylidene-7-oxo-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5S,6E)-6-ethylidene-7-oxo-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5S,6E)-6-ethylidene-7-oxo-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5S,6E)-6-ethylidene-7-keto-3-propyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H12NNaO3S MolecularWeight: 261.27265

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C(S1)C(=CC)C2=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(N2[C@@H](S1)/C(=C/C)/C2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H13NO3S.Na/c1-3-5-7-8(11(14)15)12-9(13)6(4-2)10(12)16-7;/h4,10H,3,5H2,1-2H3,(H,14,15);/q;+1/p-1/b6-4+;/t10-;/m0./s1