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

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-3-ethyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-3-ethyl-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-3-ethyl-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-ethyl-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-3-ethyl-7-keto-3-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

CCC1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C16H18N2O5S2/c1-3-16(24-2)14(17-12(19)8-13(17)25-16)15(20)23-9-10-4-6-11(7-5-10)18(21)22/h4-7,13-14H,3,8-9H2,1-2H3/t13-,14+,16?/m1/s1