sodium 3-(ethylsulfanylmethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(ethylsulfanylmethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(ethylsulfanylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-[(ethylthio)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(ethylsulfanylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-[(ethylthio)methyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C10H12NNaO3S MolecularWeight: 249.26195

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(N2C(C1)CC2=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCSCC1=C(N2C(C1)CC2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H13NO3S.Na/c1-2-15-5-6-3-7-4-8(12)11(7)9(6)10(13)14;/h7H,2-5H2,1H3,(H,13,14);/q;+1/p-1