(phenylmethyl) 6-ethyl-7-oxidanylidene-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-ethyl-7-oxidanylidene-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-ethyl-7-oxo-3-(4-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(pyridin-4-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethyl-7-oxo-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(4-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=CC=NC=C4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=CC=NC=C4

InChI

InChI=1S/C21H20N2O3S/c1-2-16-17-12-18(27-15-8-10-22-11-9-15)19(23(17)20(16)24)21(25)26-13-14-6-4-3-5-7-14/h3-11,16-17H,2,12-13H2,1H3