tert-butyl 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: tert-butyl 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-acetamido-3-(4-ethyl-1,3-dioxolan-2-yl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(O1)C2=CSC3C(C(=O)N3C2C(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCC1COC(O1)C2=CSC3C(C(=O)N3C2C(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C18H26N2O6S/c1-6-10-7-24-17(25-10)11-8-27-15-12(19-9(2)21)14(22)20(15)13(11)16(23)26-18(3,4)5/h8,10,12-13,15,17H,6-7H2,1-5H3,(H,19,21)