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

Systemtic Name: tert-butyl (7S)-7-methoxy-5,5,8-tris(oxidanylidene)-3-(pyridin-2-ylsulfanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (7S)-7-methoxy-5,5,8-trioxo-3-(2-pyridylsulfanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (7S)-7-methoxy-5,5,8-trioxo-3-[(2-pyridinylthio)methyl]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7S)-7-methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (7S)-5,5,8-triketo-7-methoxy-3-[(2-pyridylthio)methyl]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CS(=O)(=O)C2N1C(=O)C2OC)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CS(=O)(=O)C2N1C(=O)[C@@H]2OC)CSC3=CC=CC=N3

InChI

InChI=1S/C18H22N2O6S2/c1-18(2,3)26-17(22)13-11(9-27-12-7-5-6-8-19-12)10-28(23,24)16-14(25-4)15(21)20(13)16/h5-8,14,16H,9-10H2,1-4H3/t14-,16?/m0/s1