(diphenylmethyl) (2S,5R)-6-(2-bromanylethenylidene)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) (2S,5R)-6-(2-bromanylethenylidene)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl (2S,5R)-6-(2-bromoethenylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-6-(2-bromoethenylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S,5R)-6-(2-bromoethenylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-6-(2-bromoethenylidene)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C23H20BrNO3S MolecularWeight: 470.3788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C=CBr)C2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)C(=C=CBr)C2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20BrNO3S/c1-23(2)19(25-20(26)17(13-14-24)21(25)29-23)22(27)28-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18-19,21H,1-2H3/t13?,19-,21+/m0/s1