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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-3-phenylsulfanylcarbonyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-3-phenylsulfanylcarbonyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 8-oxo-3-[oxo-(phenylthio)methyl]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-3-phenylsulfanylcarbonyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 8-keto-3-(phenylthio)carbonyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C33H26N2O5S3 MolecularWeight: 626.76494

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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)SC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)C(=O)SC6=CC=CC=C6

InChI

InChI=1S/C33H26N2O5S3/c36-26(19-24-17-10-18-41-24)34-27-30(37)35-28(25(20-42-31(27)35)33(39)43-23-15-8-3-9-16-23)32(38)40-29(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-18,20,27-29,31H,19H2,(H,34,36)