diethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoyl-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-fluoranyl-phenyl]amino]sulfanyl-2-methyl-propanedioate

Systemtic Name: diethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoyl-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-fluoranyl-phenyl]amino]sulfanyl-2-methyl-propanedioate Openeye Name: diethyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2,6-difluorobenzoyl)carbamoyl]-2-fluoro-anilino]sulfanyl-2-methyl-propanedioate CAS Name: 2-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[[[(2,6-difluorophenyl)-oxomethyl]amino]-oxomethyl]-2-fluoroanilino]thio]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2,6-difluorobenzoyl)carbamoyl]-2-fluoroanilino]sulfanyl-2-methylpropanedioate Traditional Name: 2-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2,6-difluorobenzoyl)carbamoyl]-2-fluoro-anilino]thio]-2-methyl-malonic acid diethyl ester Formula: C29H23ClF6N2O7S MolecularWeight: 693.010539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)OCC)SN(C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)F)C(=O)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CCOC(=O)C(C)(C(=O)OCC)SN(C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)F)C(=O)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C29H23ClF6N2O7S/c1-4-43-25(40)28(3,26(41)44-5-2)46-38(27(42)37-24(39)23-18(31)7-6-8-19(23)32)21-11-10-16(14-20(21)33)45-22-12-9-15(13-17(22)30)29(34,35)36/h6-14H,4-5H2,1-3H3,(H,37,39,42)