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

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(cyclohexylcarbonyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(cyclohexanecarbonyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[cyclohexyl(oxo)methoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(cyclohexanecarbonyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(cyclohexanecarbonyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)OCC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N2O5S/c29-22-25(31)30-23(21(17-36-26(22)30)16-34-27(32)20-14-8-3-9-15-20)28(33)35-24(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,22,24,26H,3,8-9,14-17,29H2