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

Systemtic Name: tert-butyl 7-azanyl-3-ethyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-ethyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H20N2O3S/c1-5-7-6-19-11-8(14)10(16)15(11)9(7)12(17)18-13(2,3)4/h8,11H,5-6,14H2,1-4H3