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

Systemtic Name: 1-(4-methoxypyrimidin-5-yl)ethenyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-(4-methoxypyrimidin-5-yl)vinyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(4-methoxy-5-pyrimidinyl)ethenyl ester IUPAC Name: 1-(4-methoxypyrimidin-5-yl)ethenyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(4-methoxypyrimidin-5-yl)vinyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC=C1C(=C)OC(=O)C2=CCSC3N2C(=O)C3

Isomeric SMILES

COC1=NC=NC=C1C(=C)OC(=O)C2=CCSC3N2C(=O)C3

InChI

InChI=1S/C14H13N3O4S/c1-8(9-6-15-7-16-13(9)20-2)21-14(19)10-3-4-22-12-5-11(18)17(10)12/h3,6-7,12H,1,4-5H2,2H3