(diphenylmethyl) (6R,7R)-3-(4-chloranylbutyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-3-(4-chloranylbutyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-(tert-butoxycarbonylamino)-3-(4-chlorobutyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-(4-chlorobutyl)-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 (6R,7R)-3-(4-chlorobutyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-(tert-butoxycarbonylamino)-3-(4-chlorobutyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H33ClN2O5S MolecularWeight: 557.10072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CCCCCl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33ClN2O5S/c1-29(2,3)37-28(35)31-22-25(33)32-23(21(16-10-11-17-30)18-38-26(22)32)27(34)36-24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,22,24,26H,10-11,16-18H2,1-3H3,(H,31,35)/t22-,26-/m1/s1