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

Systemtic Name: (phenylmethyl) 3-tert-butylsulfinyl-3-chloranyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-tert-butylsulfinyl-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-tert-butylsulfinyl-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-tert-butylsulfinyl-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-tert-butylsulfinyl-3-chloro-7-keto-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H22ClNO4S/c1-17(2,3)25(23)18(19)10-13-9-14(21)20(13)15(18)16(22)24-11-12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3