sodium (6S,7S)-7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6S,7S)-7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6S,7S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6S,7S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6S,7S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6S,7S)-7-amino-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C8H9N2NaO3S MolecularWeight: 236.22343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N2[C@H]([C@H](C2=O)N)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H10N2O3S.Na/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13;/h4,7H,2,9H2,1H3,(H,12,13);/q;+1/p-1/t4-,7-;/m0./s1