tert-butyl (4S,7S)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-4-pyridin-2-ylsulfanyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (4S,7S)-7-methoxy-3-methyl-5,5,8-tris(oxidanylidene)-4-pyridin-2-ylsulfanyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (4S,7S)-7-methoxy-3-methyl-5,5,8-trioxo-4-(2-pyridylsulfanyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (4S,7S)-7-methoxy-3-methyl-5,5,8-trioxo-4-(2-pyridinylthio)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,7S)-7-methoxy-3-methyl-5,5,8-trioxo-4-pyridin-2-ylsulfanyl-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (4S,7S)-5,5,8-triketo-7-methoxy-3-methyl-4-(2-pyridylthio)-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:

CC1=C(N2C(C(C2=O)OC)S(=O)(=O)C1SC3=CC=CC=N3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C([C@H](C2=O)OC)S(=O)(=O)[C@@H]1SC3=CC=CC=N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N2O6S2/c1-10-12(16(22)26-18(2,3)4)20-14(21)13(25-5)15(20)28(23,24)17(10)27-11-8-6-7-9-19-11/h6-9,13,15,17H,1-5H3/t13-,15?,17-/m0/s1