sodium 3-(2-azanylethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(2-azanylethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(2-aminoethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-[(2-aminoethylthio)methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(2-aminoethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-[(2-aminoethylthio)methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H15N2NaO4S2 MolecularWeight: 326.36757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSCCN)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSCCN)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H16N2O4S2.Na/c1-5(14)7-9(15)13-8(11(16)17)6(19-10(7)13)4-18-3-2-12;/h5,7,10,14H,2-4,12H2,1H3,(H,16,17);/q;+1/p-1