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

Systemtic Name: (phenylmethyl) 3-tert-butylsulfinyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-tert-butylsulfinyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-tert-butylsulfinyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-tert-butylsulfinyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-tert-butylsulfinyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)S(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)24(22)14-9-13-10-15(20)19(13)16(14)17(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3