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

Systemtic Name: (phenylmethyl) 7-oxidanylidene-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 7-oxo-3-(2-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(2-pyridinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-oxo-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=CC=CC=N3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=CC=CC=N3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H16N2O3S/c22-17-11-14-10-15(25-16-8-4-5-9-20-16)18(21(14)17)19(23)24-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2