7-[(E)-2-(4-azanylpyrimidin-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(E)-2-(4-azanylpyrimidin-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(E)-2-(4-aminopyrimidin-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(E)-2-(4-amino-5-pyrimidinyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(E)-2-(4-aminopyrimidin-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(E)-2-(4-aminopyrimidin-5-yl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H11N4O3S- MolecularWeight: 303.31644

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C=CC3=CN=CN=C3N)C(=O)[O-]

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)/C=C/C3=CN=CN=C3N)C(=O)[O-]

InChI

InChI=1S/C13H12N4O3S/c14-10-7(5-15-6-16-10)1-2-8-11(18)17-9(13(19)20)3-4-21-12(8)17/h1-3,5-6,8,12H,4H2,(H,19,20)(H2,14,15,16)/p-1/b2-1+