(2-phenylethanoylamino) (6S)-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-phenylethanoylamino) (6S)-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(2-phenylacetyl)amino] (6S)-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-3-[[dimethylamino(oxo)methoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] (6S)-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-3-(dimethylcarbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)ONC(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)OCC1=C(N2[C@H](CC2=O)SC1)C(=O)ONC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O6S/c1-21(2)19(26)27-10-13-11-29-16-9-15(24)22(16)17(13)18(25)28-20-14(23)8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3,(H,20,23)/t16-/m0/s1