[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-[2,5-bis(oxidanylidene)-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-[2,5-bis(oxidanylidene)-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2,5-dioxo-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(2-pyrimidinylthio)-1-pyrrolidinyl]benzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2,5-dioxo-3-pyrimidin-2-ylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(2-pyrimidylthio)pyrrolidino]benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C29H21N3O5S MolecularWeight: 523.55914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=NC=CC=N5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=NC=CC=N5

InChI

InChI=1S/C29H21N3O5S/c33-24(21-9-7-20(8-10-21)19-5-2-1-3-6-19)18-37-28(36)22-11-13-23(14-12-22)32-26(34)17-25(27(32)35)38-29-30-15-4-16-31-29/h1-16,25H,17-18H2