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

Systemtic Name: (diphenylmethyl) 7-acetamido-8-oxidanylidene-3-(1-oxidanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-acetamido-3-(1-hydroxypropyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C)O

Isomeric SMILES

CCC(C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C)O

InChI

InChI=1S/C25H26N2O5S/c1-3-19(29)18-14-33-24-20(26-15(2)28)23(30)27(24)21(18)25(31)32-22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19-22,24,29H,3H2,1-2H3,(H,26,28)