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

Systemtic Name: tert-butyl 3-acetamido-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-acetamido-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-acetamido-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-acetamido-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H19N3O4S/c1-6(17)15-7-5-21-11-8(14)10(18)16(11)9(7)12(19)20-13(2,3)4/h8,11H,5,14H2,1-4H3,(H,15,17)