sodium 6-(1-hydroxyethyl)-6-methyl-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 6-(1-hydroxyethyl)-6-methyl-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-3-isopropylsulfanyl-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-6-methyl-7-oxo-3-(propan-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-6-methyl-7-oxo-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-3-(isopropylthio)-7-keto-6-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H18NNaO4S MolecularWeight: 307.34109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N2C(C1)C(C2=O)(C)C(C)O)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)SC1=C(N2C(C1)C(C2=O)(C)C(C)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO4S.Na/c1-6(2)19-8-5-9-13(4,7(3)15)12(18)14(9)10(8)11(16)17;/h6-7,9,15H,5H2,1-4H3,(H,16,17);/q;+1/p-1