(4-methoxyphenyl)methyl (6R,7R)-3-[(E)-3-iodanylprop-1-enyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-3-[(E)-3-iodanylprop-1-enyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-(tert-butoxycarbonylamino)-3-[(E)-3-iodoprop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[(E)-3-iodoprop-1-enyl]-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-3-[(E)-3-iodoprop-1-enyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-(tert-butoxycarbonylamino)-3-[(E)-3-iodoprop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H27IN2O6S MolecularWeight: 586.43975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)C=CCI)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)/C=C/CI)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27IN2O6S/c1-23(2,3)32-22(29)25-17-19(27)26-18(15(6-5-11-24)13-33-20(17)26)21(28)31-12-14-7-9-16(30-4)10-8-14/h5-10,17,20H,11-13H2,1-4H3,(H,25,29)/b6-5+/t17-,20-/m1/s1