[(4S,7S)-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] benzoate

Systemtic Name: [(4S,7S)-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] benzoate Openeye Name: [(4S,7S)-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] benzoate CAS Name: benzoic acid [(4S,7S)-2-(2,2-dimethyl-1-oxopropyl)-7-methoxy-3-methyl-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] ester IUPAC Name: [(4S,7S)-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] benzoate Traditional Name: benzoic acid [(4S,7S)-5,5,8-triketo-7-methoxy-3-methyl-2-pivaloyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1OC(=O)C3=CC=CC=C3)C(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C([C@H](C2=O)OC)S(=O)(=O)[C@@H]1OC(=O)C3=CC=CC=C3)C(=O)C(C)(C)C

InChI

InChI=1S/C20H23NO7S/c1-11-13(15(22)20(2,3)4)21-16(23)14(27-5)17(21)29(25,26)19(11)28-18(24)12-9-7-6-8-10-12/h6-10,14,17,19H,1-5H3/t14-,17?,19-/m0/s1