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

Systemtic Name: 3-(2-dimethylaminoethylcarbamoyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(2-dimethylaminoethylcarbamoyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[(2-dimethylaminoethylamino)-oxomethoxy]methyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(2-dimethylaminoethylcarbamoyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(2-dimethylaminoethylcarbamoyloxymethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H25N4O6S- MolecularWeight: 461.5114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-24(2)9-8-22-21(30)31-11-14-12-32-19-16(18(27)25(19)17(14)20(28)29)23-15(26)10-13-6-4-3-5-7-13/h3-7,16,19H,8-12H2,1-2H3,(H,22,30)(H,23,26)(H,28,29)/p-1