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

Systemtic Name: sodium 3-(3-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(3-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(3-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(3-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-7-keto-3-(3-thiocarbamoylphenyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H15N2NaO4S MolecularWeight: 354.35607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3=CC(=CC=C3)C(=S)N)O.[Na+]

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3=CC(=CC=C3)C(=S)N)O.[Na+]

InChI

InChI=1S/C16H16N2O4S.Na/c1-7(19)12-11-6-10(13(16(21)22)18(11)15(12)20)8-3-2-4-9(5-8)14(17)23;/h2-5,7,11-12,19H,6H2,1H3,(H2,17,23)(H,21,22);/q;+1/p-1