(2S)-1-[[(7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[(7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(7S)-3-(acetoxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(7S)-3-(acetoxymethyl)-5,5,8-triketo-7-methoxy-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]proline Formula: C16H20N2O9S MolecularWeight: 416.403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C16H20N2O9S/c1-8(19)27-6-9-7-28(24,25)15-12(26-2)14(21)18(15)11(9)13(20)17-5-3-4-10(17)16(22)23/h10,12,15H,3-7H2,1-2H3,(H,22,23)/t10-,12-,15?/m0/s1