[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-6-isobutyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C29H24BrN3O5S MolecularWeight: 606.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H24BrN3O5S/c1-17(2)13-22-10-5-20(15-31)27(32-22)39-25-14-26(35)33(28(25)36)23-11-6-19(7-12-23)29(37)38-16-24(34)18-3-8-21(30)9-4-18/h3-12,17,25H,13-14,16H2,1-2H3