(3-methoxycarbonylphenyl)methyl (7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl (7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl (7S)-3-(acetoxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl (7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (7S)-3-(acetoxymethyl)-5,5,8-triketo-7-methoxy-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C20H21NO10S MolecularWeight: 467.44644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1)C(=O)OCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)OCC1=C(N2C([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)OCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H21NO10S/c1-11(22)30-9-14-10-32(26,27)18-16(28-2)17(23)21(18)15(14)20(25)31-8-12-5-4-6-13(7-12)19(24)29-3/h4-7,16,18H,8-10H2,1-3H3/t16-,18?/m0/s1