(diphenylmethyl) 3-bromanyl-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-bromanyl-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-bromo-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-bromo-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-bromo-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-bromo-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O4S/c22-15-11-29-20-16(23-12-25)19(26)24(20)17(15)21(27)28-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16,18,20H,11H2,(H,23,25)