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

Systemtic Name: sodium 6-(1-hydroxyethyl)-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-3-isopropylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-(propan-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-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-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H16NNaO4S MolecularWeight: 293.31451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S.Na/c1-5(2)18-8-4-7-9(6(3)14)11(15)13(7)10(8)12(16)17;/h5-7,9,14H,4H2,1-3H3,(H,16,17);/q;+1/p-1