(diphenylmethyl) 8-oxidanylidene-3-pyrrolidin-1-yl-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-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-3-pyrrolidin-1-yl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(1-pyrrolidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-3-pyrrolidin-1-yl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-pyrrolidino-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H29N3O4S2 MolecularWeight: 559.69896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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)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/C30H29N3O4S2/c34-24(18-22-14-9-17-38-22)31-25-28(35)33-26(23(19-39-29(25)33)32-15-7-8-16-32)30(36)37-27(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,9-14,17,25,27,29H,7-8,15-16,18-19H2,(H,31,34)