(2-chlorophenyl)methyl 6-ethyl-7-oxidanylidene-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 6-ethyl-7-oxidanylidene-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (2-chlorophenyl)methyl 6-ethyl-7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(4-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 6-ethyl-7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(4-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-chlorobenzyl) ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3Cl)SC4=NC=NC=C4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3Cl)SC4=NC=NC=C4

InChI

InChI=1S/C20H18ClN3O3S/c1-2-13-15-9-16(28-17-7-8-22-11-23-17)18(24(15)19(13)25)20(26)27-10-12-5-3-4-6-14(12)21/h3-8,11,13,15H,2,9-10H2,1H3