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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-(2,5-dioxo-3-phenylsulfanyl-pyrrolidin-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-1-pyrrolidinyl]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-(2,5-dioxo-3-phenylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)pyrrolidino]benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H21NO5S MolecularWeight: 459.51364

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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=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4

InChI

InChI=1S/C26H21NO5S/c1-17-7-9-18(10-8-17)22(28)16-32-26(31)19-11-13-20(14-12-19)27-24(29)15-23(25(27)30)33-21-5-3-2-4-6-21/h2-14,23H,15-16H2,1H3