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

Systemtic Name: 7-[(E)-2-(4-methoxypyrimidin-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(E)-2-(4-methoxypyrimidin-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(E)-2-(4-methoxy-5-pyrimidinyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(E)-2-(4-methoxypyrimidin-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(E)-2-(4-methoxypyrimidin-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC=C1C=CC2C3N(C2=O)C(=CCS3)C(=O)[O-]

Isomeric SMILES

COC1=NC=NC=C1/C=C/C2C3N(C2=O)C(=CCS3)C(=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-21-11-8(6-15-7-16-11)2-3-9-12(18)17-10(14(19)20)4-5-22-13(9)17/h2-4,6-7,9,13H,5H2,1H3,(H,19,20)/p-1/b3-2+