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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[2,5-bis(oxidanylidene)-3-pyridin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-[2,5-dioxo-3-(2-pyridylsulfanyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(2-pyridinylthio)-1-pyrrolidinyl]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-(2,5-dioxo-3-pyridin-2-ylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(2-pyridylthio)pyrrolidino]benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=N4

InChI

InChI=1S/C25H20N2O5S/c1-16-5-7-17(8-6-16)20(28)15-32-25(31)18-9-11-19(12-10-18)27-23(29)14-21(24(27)30)33-22-4-2-3-13-26-22/h2-13,21H,14-15H2,1H3