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

Systemtic Name: sodium 3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(2-acetamidoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(2-acetamidoethylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H17N2NaO4S MolecularWeight: 320.33985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C.[Na+]

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C.[Na+]

InChI

InChI=1S/C13H18N2O4S.Na/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17;/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19);/q;+1/p-1