(4-nitrophenyl)methyl 3,3-dimethyl-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3,3-dimethyl-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(2-hydroxypropan-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-(2-hydroxypropan-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N2O6S/c1-17(2,23)12-14(21)19-13(18(3,4)27-15(12)19)16(22)26-9-10-5-7-11(8-6-10)20(24)25/h5-8,12-13,15,23H,9H2,1-4H3