(4-methylsulfonylphenyl)methyl 3-(1H-imidazol-2-ylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-methylsulfonylphenyl)methyl 3-(1H-imidazol-2-ylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-methylsulfonylphenyl)methyl 3-(1H-imidazol-2-ylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(1H-imidazol-2-ylthio)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-methylsulfonylphenyl)methyl ester IUPAC Name: (4-methylsulfonylphenyl)methyl 3-(1H-imidazol-2-ylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(1H-imidazol-2-ylthio)-6-isopropyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-mesylbenzyl) ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)S(=O)(=O)C)SC4=NC=CN4

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)S(=O)(=O)C)SC4=NC=CN4

InChI

InChI=1S/C21H23N3O5S2/c1-12(2)17-15-10-16(30-21-22-8-9-23-21)18(24(15)19(17)25)20(26)29-11-13-4-6-14(7-5-13)31(3,27)28/h4-9,12,15,17H,10-11H2,1-3H3,(H,22,23)