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

Systemtic Name: sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-(benzyloxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-(benzyloxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H17N2NaO7S MolecularWeight: 428.39155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H18N2O7S.Na/c1-10(21)26-8-12-9-28-16-13(15(22)20(16)14(12)17(23)24)19-18(25)27-7-11-5-3-2-4-6-11;/h2-6,13,16H,7-9H2,1H3,(H,19,25)(H,23,24);/q;+1/p-1