methyl 5-phenyl-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H19F7N2O4S2 MolecularWeight: 596.537482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C24H19F7N2O4S2/c1-35-20(34)17-10-18(13-5-3-2-4-6-13)39-19(17)33-22(38)32-14-7-15(36-11-23(27,28)21(25)26)9-16(8-14)37-12-24(29,30)31/h2-10,21H,11-12H2,1H3,(H2,32,33,38)