(diphenylmethyl) 3-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-azido-7-(tert-butoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-azido-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-azido-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-azido-7-(tert-butoxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H25N5O5S MolecularWeight: 507.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)N=[N+]=[N-])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)N=[N+]=[N-])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O5S/c1-25(2,3)35-24(33)27-18-21(31)30-19(17(28-29-26)14-36-22(18)30)23(32)34-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,20,22H,14H2,1-3H3,(H,27,33)