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

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-3-(methylthio)-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfanyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-7-keto-3-(methylthio)-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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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-])C4=CC=CC=C4

Isomeric SMILES

CSC1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O5S2/c1-28-20(14-5-3-2-4-6-14)18(21-16(23)11-17(21)29-20)19(24)27-12-13-7-9-15(10-8-13)22(25)26/h2-10,17-18H,11-12H2,1H3/t17-,18+,20?/m1/s1