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

Systemtic Name: sodium 3-butylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(butylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(butylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H18NNaO3S MolecularWeight: 291.34169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO3S.Na/c1-3-5-6-18-10-7-9-8(4-2)12(15)14(9)11(10)13(16)17;/h8-9H,3-7H2,1-2H3,(H,16,17);/q;+1/p-1