sodium 7-[2-(cyanomethylsulfonyl)ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[2-(cyanomethylsulfonyl)ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[2-(cyanomethylsulfonyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[2-(cyanomethylsulfonyl)-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[2-(cyanomethylsulfonyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[2-(cyanomethylsulfonyl)acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H14N7NaO6S3 MolecularWeight: 495.48903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CS(=O)(=O)CC#N)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CS(=O)(=O)CC#N)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H15N7O6S3.Na/c1-20-14(17-18-19-20)29-5-7-4-28-12-9(11(23)21(12)10(7)13(24)25)16-8(22)6-30(26,27)3-2-15;/h9,12H,3-6H2,1H3,(H,16,22)(H,24,25);/q;+1/p-1