(diphenylmethyl) 4-acetamido-8-oxidanylidene-4-phenoxy-3-propan-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 4-acetamido-8-oxidanylidene-4-phenoxy-3-propan-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 4-acetamido-3-isopropyl-8-oxo-4-phenoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-acetamido-8-oxo-4-phenoxy-3-propan-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-acetamido-8-oxo-4-phenoxy-3-propan-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-acetamido-3-isopropyl-8-keto-4-phenoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N2C(CC2=O)SC1(NC(=O)C)OC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(N2C(CC2=O)SC1(NC(=O)C)OC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O5S/c1-20(2)27-28(30(36)37-29(22-13-7-4-8-14-22)23-15-9-5-10-16-23)33-25(35)19-26(33)39-31(27,32-21(3)34)38-24-17-11-6-12-18-24/h4-18,20,26,29H,19H2,1-3H3,(H,32,34)