sodium 6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-ethyl-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-ethyl-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H14NNaO3S MolecularWeight: 311.33133

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C15H15NO3S.Na/c1-2-10-11-8-12(20-9-6-4-3-5-7-9)13(15(18)19)16(11)14(10)17;/h3-7,10-11H,2,8H2,1H3,(H,18,19);/q;+1/p-1