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

Systemtic Name: [(E)-2-(2-methylpyrimidin-5-yl)ethenyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-2-(2-methylpyrimidin-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 [(E)-2-(2-methyl-5-pyrimidinyl)ethenyl] ester IUPAC Name: [(E)-2-(2-methylpyrimidin-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 [(E)-2-(2-methylpyrimidin-5-yl)vinyl] ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C=COC(=O)C2=CCSC3N2C(=O)C3

Isomeric SMILES

CC1=NC=C(C=N1)/C=C/OC(=O)C2=CCSC3N2C(=O)C3

InChI

InChI=1S/C14H13N3O3S/c1-9-15-7-10(8-16-9)2-4-20-14(19)11-3-5-21-13-6-12(18)17(11)13/h2-4,7-8,13H,5-6H2,1H3/b4-2+