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

Systemtic Name: sodium 3-(4-aminocarbonylphenoxy)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(4-carbamoylphenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(4-carbamoylphenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(4-carbamoylphenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(4-carbamoylphenoxy)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H13N2NaO6S MolecularWeight: 372.32829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6S.Na/c1-6(18)9-12(20)17-10(14(21)22)15(24-13(9)17)23-8-4-2-7(3-5-8)11(16)19;/h2-6,9,13,18H,1H3,(H2,16,19)(H,21,22);/q;+1/p-1