bis(diphenylmethyl) 8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate

Systemtic Name: bis(diphenylmethyl) 8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate Openeye Name: dibenzhydryl 8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylic acid bis(diphenylmethyl) ester IUPAC Name: dibenzhydryl 8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylate Traditional Name: 8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2,3-dicarboxylic acid dibenzhydryl ester Formula: C40H32N2O6S2 MolecularWeight: 700.82188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H32N2O6S2/c43-32(24-30-22-13-23-49-30)41-33-37(44)42-34(40(46)48-36(28-18-9-3-10-19-28)29-20-11-4-12-21-29)31(25-50-38(33)42)39(45)47-35(26-14-5-1-6-15-26)27-16-7-2-8-17-27/h1-23,25,33-36,38H,24H2,(H,41,43)