sodium (5S)-3-(2-azanylethylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5S)-3-(2-azanylethylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5S)-3-(2-aminoethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5S)-3-(2-aminoethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5S)-3-(2-aminoethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5S)-3-(2-aminoethylthio)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C8H9N2NaO3S2 MolecularWeight: 268.28843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)SCCN)C(=O)[O-].[Na+]

Isomeric SMILES

C1[C@H]2N(C1=O)C(=C(S2)SCCN)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H10N2O3S2.Na/c9-1-2-14-8-6(7(12)13)10-4(11)3-5(10)15-8;/h5H,1-3,9H2,(H,12,13);/q;+1/p-1/t5-;/m0./s1