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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-4,5,6-trimethyl-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-4,5,6-trimethylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C28H22BrN3O5S MolecularWeight: 592.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C28H22BrN3O5S/c1-15-16(2)22(13-30)26(31-17(15)3)38-24-12-25(34)32(27(24)35)21-10-6-19(7-11-21)28(36)37-14-23(33)18-4-8-20(29)9-5-18/h4-11,24H,12,14H2,1-3H3