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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-3-(pyrrolidine-1-carbonyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-[oxo(1-pyrrolidinyl)methyl]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-3-(pyrrolidine-1-carbonyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(pyrrolidine-1-carbonyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H29N3O5S2 MolecularWeight: 587.70906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H29N3O5S2/c35-24(18-22-14-9-17-40-22)32-25-29(37)34-26(23(19-41-30(25)34)28(36)33-15-7-8-16-33)31(38)39-27(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,9-14,17,25,27,30H,7-8,15-16,18-19H2,(H,32,35)