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

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 4-(2,5-dioxo-3-pyrimidin-2-ylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(2-pyrimidylthio)pyrrolidino]benzoic acid phenacyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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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=CC=C3)SC4=NC=CC=N4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=NC=CC=N4

InChI

InChI=1S/C23H17N3O5S/c27-18(15-5-2-1-3-6-15)14-31-22(30)16-7-9-17(10-8-16)26-20(28)13-19(21(26)29)32-23-24-11-4-12-25-23/h1-12,19H,13-14H2