(phenylmethyl) 6-ethyl-7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-ethyl-7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-ethyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(2-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=NC=CC=N4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=NC=CC=N4

InChI

InChI=1S/C20H19N3O3S/c1-2-14-15-11-16(27-20-21-9-6-10-22-20)17(23(15)18(14)24)19(25)26-12-13-7-4-3-5-8-13/h3-10,14-15H,2,11-12H2,1H3