8-oxidanylidene-7-[(E)-2-pyrimidin-5-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-[(E)-2-pyrimidin-5-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(E)-2-pyrimidin-5-ylvinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(E)-2-(5-pyrimidinyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(E)-2-pyrimidin-5-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(E)-2-(5-pyrimidyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C13H10N3O3S- MolecularWeight: 288.3018

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C=CC3=CN=CN=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c17-11-9(2-1-8-5-14-7-15-6-8)12-16(11)10(13(18)19)3-4-20-12/h1-3,5-7,9,12H,4H2,(H,18,19)/p-1/b2-1+