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

Systemtic Name: sodium 3-(4-cyanophenoxy)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(4-cyanophenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(4-cyanophenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(4-cyanophenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(4-cyanophenoxy)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H11N2NaO5S MolecularWeight: 354.31301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C#N)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C#N)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H12N2O5S.Na/c1-7(18)10-12(19)17-11(14(20)21)15(23-13(10)17)22-9-4-2-8(6-16)3-5-9;/h2-5,7,10,13,18H,1H3,(H,20,21);/q;+1/p-1