tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(E)-2-ethylsulfinylprop-1-enyl]amino]-8-keto-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C(=CNC1(C2N(C1=O)C(=C(CS2)C)C(=O)OC(C)(C)C)OC)C

Isomeric SMILES

CCS(=O)/C(=C/NC1(C2N(C1=O)C(=C(CS2)C)C(=O)OC(C)(C)C)OC)/C

InChI

InChI=1S/C18H28N2O5S2/c1-8-27(23)12(3)9-19-18(24-7)15(22)20-13(11(2)10-26-16(18)20)14(21)25-17(4,5)6/h9,16,19H,8,10H2,1-7H3/b12-9+