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

Systemtic Name: (4-bromophenyl)methyl 6-ethyl-7-oxidanylidene-3-(1H-pyrrol-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-bromophenyl)methyl 6-ethyl-7-oxo-3-(1H-pyrrol-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(1H-pyrrol-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 6-ethyl-7-oxo-3-(1H-pyrrol-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(1H-pyrrol-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-bromobenzyl) ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)Br)SC4=CC=CN4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)Br)SC4=CC=CN4

InChI

InChI=1S/C20H19BrN2O3S/c1-2-14-15-10-16(27-17-4-3-9-22-17)18(23(15)19(14)24)20(25)26-11-12-5-7-13(21)8-6-12/h3-9,14-15,22H,2,10-11H2,1H3