tert-butyl 7-acetamido-3-carbonochloridoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-acetamido-3-carbonochloridoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-acetamido-3-chlorocarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-3-carbonochloridoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetamido-3-carbonochloridoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-3-chlorocarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)C(=O)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)C(=O)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H17ClN2O5S/c1-6(18)16-8-11(20)17-9(13(21)22-14(2,3)4)7(10(15)19)5-23-12(8)17/h8,12H,5H2,1-4H3,(H,16,18)