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

Systemtic Name: 1-(2-methylpyrimidin-5-yl)ethenyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-(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 1-(2-methyl-5-pyrimidinyl)ethenyl ester IUPAC Name: 1-(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 1-(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(=C)OC(=O)C2=CCSC3N2C(=O)C3

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-8(10-6-15-9(2)16-7-10)20-14(19)11-3-4-21-13-5-12(18)17(11)13/h3,6-7,13H,1,4-5H2,2H3