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

Systemtic Name: sodium 3-(3-aminocarbonylphenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(3-carbamoylphenyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(3-carbamoylphenyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(3-carbamoylphenyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(3-carbamoylphenyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H13N2NaO5S MolecularWeight: 356.32889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S.Na/c1-6(18)9-13(20)17-10(15(21)22)11(23-14(9)17)7-3-2-4-8(5-7)12(16)19;/h2-6,9,14,18H,1H3,(H2,16,19)(H,21,22);/q;+1/p-1