(3-oxidanylidene-1H-2-benzofuran-1-yl) 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=NC=CC=N3)C(=O)OC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=NC=CC=N3)C(=O)OC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C19H13N3O5S/c23-14-9-10-8-13(28-19-20-6-3-7-21-19)15(22(10)14)17(25)27-18-12-5-2-1-4-11(12)16(24)26-18/h1-7,10,18H,8-9H2