sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-benzyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-benzoxy-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H23N2NaO7S MolecularWeight: 518.51409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H24N2O7S.Na/c1-16(28)33-14-19-15-35-24-25(23(32)27(24)21(19)22(30)31,34-13-18-10-6-3-7-11-18)26-20(29)12-17-8-4-2-5-9-17;/h2-11,24H,12-15H2,1H3,(H,26,29)(H,30,31);/q;+1/p-1