3-(5,5-dimethyloxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(5,5-dimethyloxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(5,5-dimethyltetrahydrofuran-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(5,5-dimethyl-2-oxolanyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(5,5-dimethyloxolan-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(5,5-dimethyltetrahydrofuran-2-yl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H23N2O5S- MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-])C

Isomeric SMILES

CC1(CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-])C

InChI

InChI=1S/C21H24N2O5S/c1-21(2)9-8-14(28-21)13-11-29-19-16(18(25)23(19)17(13)20(26)27)22-15(24)10-12-6-4-3-5-7-12/h3-7,14,16,19H,8-11H2,1-2H3,(H,22,24)(H,26,27)/p-1