sodium 3-(benzenecarbonothioyl)-7-methyl-8-oxidanylidene-7-[(2-phenyl-2-sulfanylidene-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(benzenecarbonothioyl)-7-methyl-8-oxidanylidene-7-[(2-phenyl-2-sulfanylidene-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(benzenecarbonothioyl)-7-methyl-8-oxo-7-[(2-phenyl-2-thioxo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(benzenecarbonothioyl)-7-methyl-8-oxo-7-[(1-oxo-2-phenyl-2-sulfanylideneethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(benzenecarbonothioyl)-7-methyl-8-oxo-7-[(2-phenyl-2-sulfanylideneacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(benzenecarbonothioyl)-8-keto-7-methyl-7-[(2-phenyl-2-thioxo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H17N2NaO4S3 MolecularWeight: 504.57685

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=C(CS2)C(=S)C3=CC=CC=C3)C(=O)[O-])NC(=O)C(=S)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1(C2N(C1=O)C(=C(CS2)C(=S)C3=CC=CC=C3)C(=O)[O-])NC(=O)C(=S)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H18N2O4S3.Na/c1-23(24-19(26)18(31)14-10-6-3-7-11-14)21(29)25-16(20(27)28)15(12-32-22(23)25)17(30)13-8-4-2-5-9-13;/h2-11,22H,12H2,1H3,(H,24,26)(H,27,28);/q;+1/p-1