(diphenylmethyl) (7R)-7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (7R)-7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (7R)-7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (7R)-7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (7R)-7-(1H-benzimidazol-2-ylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (7R)-7-(1H-benzimidazol-2-ylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC4=CC=CC=C4N3)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(N2C([C@@H](C2=O)NC3=NC4=CC=CC=C4N3)SC1)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H24N4O3S/c1-17-16-36-26-22(31-28-29-20-14-8-9-15-21(20)30-28)25(33)32(26)23(17)27(34)35-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22,24,26H,16H2,1H3,(H2,29,30,31)/t22-,26?/m1/s1