(diphenylmethyl) (2S,5R,6S)-6-bromanyl-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) (2S,5R,6S)-6-bromanyl-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6S)-6-bromo-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6S)-6-bromo-4,4,7-triketo-3,3-dimethyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO5S/c1-21(2)17(23-18(24)15(22)19(23)29(21,26)27)20(25)28-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17,19H,1-2H3/t15-,17-,19+/m0/s1