3-methoxycarbonyl-8-oxidanylidene-7-[[2-phenyl-2-(prop-2-enoxycarbonylamino)ethanoyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-methoxycarbonyl-8-oxidanylidene-7-[[2-phenyl-2-(prop-2-enoxycarbonylamino)ethanoyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[2-(allyloxycarbonylamino)-2-phenyl-acetyl]amino]-3-methoxycarbonyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methoxycarbonyl-8-oxo-7-[[1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]-2-phenylethyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-methoxycarbonyl-8-oxo-7-[[2-phenyl-2-(prop-2-enoxycarbonylamino)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(allyloxycarbonylamino)-2-phenyl-acetyl]amino]-3-carbomethoxy-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H22N3O8- MolecularWeight: 456.42538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)OCC=C)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)OCC=C)C(=O)[O-]

InChI

InChI=1S/C22H23N3O8/c1-3-11-33-22(31)24-15(12-7-5-4-6-8-12)18(26)23-16-14-10-9-13(21(30)32-2)17(20(28)29)25(14)19(16)27/h3-8,14-16H,1,9-11H2,2H3,(H,23,26)(H,24,31)(H,28,29)/p-1