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

Systemtic Name: 3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(methylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C9H10NO3S2- MolecularWeight: 244.3106

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(N2C(CC2=O)SC1)C(=O)[O-]

Isomeric SMILES

CSCC1=C(N2C(CC2=O)SC1)C(=O)[O-]

InChI

InChI=1S/C9H11NO3S2/c1-14-3-5-4-15-7-2-6(11)10(7)8(5)9(12)13/h7H,2-4H2,1H3,(H,12,13)/p-1