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

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-3-methyl-3-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-3-methyl-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-3-methyl-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-methyl-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-7-keto-3-methyl-3-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H16N2O5S2 MolecularWeight: 368.42794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C15H16N2O5S2/c1-15(23-2)13(16-11(18)7-12(16)24-15)14(19)22-8-9-3-5-10(6-4-9)17(20)21/h3-6,12-13H,7-8H2,1-2H3/t12-,13+,15?/m1/s1