3-(3,4-dimethoxyoxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(3,4-dimethoxyoxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(3,4-dimethoxytetrahydrofuran-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(3,4-dimethoxy-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-(3,4-dimethoxyoxolan-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(3,4-dimethoxytetrahydrofuran-2-yl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H23N2O7S- MolecularWeight: 447.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1COC(C1OC)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

COC1COC(C1OC)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-28-13-9-30-17(18(13)29-2)12-10-31-20-15(19(25)23(20)16(12)21(26)27)22-14(24)8-11-6-4-3-5-7-11/h3-7,13,15,17-18,20H,8-10H2,1-2H3,(H,22,24)(H,26,27)/p-1