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

Systemtic Name: (diphenylmethyl) 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-(tert-butoxycarbonylamino)-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-phenacyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C33H32N2O6S MolecularWeight: 584.68198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)CC(=O)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)CC(=O)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O6S/c1-33(2,3)41-32(39)34-26-29(37)35-27(24(20-42-30(26)35)19-25(36)21-13-7-4-8-14-21)31(38)40-28(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,26,28,30H,19-20H2,1-3H3,(H,34,39)