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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-[3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C29H22F3N3O7S MolecularWeight: 613.56109

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22F3N3O7S/c1-15-10-20(29(30,31)32)19(13-33)26(34-15)43-24-12-25(37)35(27(24)38)18-7-4-16(5-8-18)28(39)42-14-21(36)17-6-9-22(40-2)23(11-17)41-3/h4-11,24H,12,14H2,1-3H3