(4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-3-methylsulfonyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-3-methylsulfonyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-3-methylsulfonyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-3-methylsulfonyl-3-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-3-methylsulfonyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-7-keto-3-mesyl-3-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H16N2O7S3 MolecularWeight: 432.49174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CSC1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C15H16N2O7S3/c1-25-15(27(2,22)23)13(16-11(18)7-12(16)26-15)14(19)24-8-9-3-5-10(6-4-9)17(20)21/h3-6,12-13H,7-8H2,1-2H3/t12-,13+,15?/m1/s1