(phenylmethyl) 7-oxidanylidene-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-oxidanylidene-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(4-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(4-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=NC=NC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=NC=NC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S/c22-16-9-13-8-14(25-15-6-7-19-11-20-15)17(21(13)16)18(23)24-10-12-4-2-1-3-5-12/h1-7,11,13H,8-10H2