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

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-pyridin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[2,5-dioxo-3-(2-pyridylsulfanyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(2-pyridinylthio)-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(2,5-dioxo-3-pyridin-2-ylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(2-pyridylthio)pyrrolidino]benzoic acid phenacyl ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5S/c27-19(16-6-2-1-3-7-16)15-31-24(30)17-9-11-18(12-10-17)26-22(28)14-20(23(26)29)32-21-8-4-5-13-25-21/h1-13,20H,14-15H2