(diphenylmethyl) 3-aminocarbonyl-7-methylsulfanyl-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-aminocarbonyl-7-methylsulfanyl-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-carbamoyl-7-methylsulfanyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-carbamoyl-7-(methylthio)-8-oxo-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-carbamoyl-7-methylsulfanyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-carbamoyl-8-keto-7-(methylthio)-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C41H35N3O4S2 MolecularWeight: 697.8643

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C2N(C1=O)C(=C(CS2)C(=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CSC1(C2N(C1=O)C(=C(CS2)C(=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C41H35N3O4S2/c1-49-41(43-40(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32)38(47)44-34(33(36(42)45)27-50-39(41)44)37(46)48-35(28-17-7-2-8-18-28)29-19-9-3-10-20-29/h2-26,35,39,43H,27H2,1H3,(H2,42,45)