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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[2,5-bis(oxidanylidene)-3-pyridin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-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-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-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-(4-methoxyphenyl)ethyl] ester Formula: C25H20N2O6S MolecularWeight: 476.5011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=N4

Isomeric SMILES

COC1=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/C25H20N2O6S/c1-32-19-11-7-16(8-12-19)20(28)15-33-25(31)17-5-9-18(10-6-17)27-23(29)14-21(24(27)30)34-22-4-2-3-13-26-22/h2-13,21H,14-15H2,1H3