methyl 8-oxidanylidene-7-(5-oxidanylideneoxolan-2-yl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 8-oxidanylidene-7-(5-oxidanylideneoxolan-2-yl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 8-oxo-7-(5-oxotetrahydrofuran-2-yl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-(5-oxo-2-oxolanyl)-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 8-oxo-7-(5-oxooxolan-2-yl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-(5-ketotetrahydrofuran-2-yl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCSC2N1C(=O)C2(C3CCC(=O)O3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CCSC2N1C(=O)C2(C3CCC(=O)O3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O6S/c1-27-17(25)13-9-10-29-19-20(18(26)22(13)19,14-7-8-16(24)28-14)21-15(23)11-12-5-3-2-4-6-12/h2-6,9,14,19H,7-8,10-11H2,1H3,(H,21,23)