sodium 7-formamido-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-formamido-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-formamido-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-formamido-3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-formamido-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-formamido-8-keto-3-[(methylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C10H11N2NaO4S2 MolecularWeight: 310.32511

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(N2C(C(C2=O)NC=O)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CSCC1=C(N2C(C(C2=O)NC=O)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H12N2O4S2.Na/c1-17-2-5-3-18-9-6(11-4-13)8(14)12(9)7(5)10(15)16;/h4,6,9H,2-3H2,1H3,(H,11,13)(H,15,16);/q;+1/p-1