ethyl 5-methyl-4-phenyl-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)anilino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H23F7N2O4S2 MolecularWeight: 624.590642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C26H23F7N2O4S2/c1-3-37-22(36)20-19(15-7-5-4-6-8-15)14(2)41-21(20)35-24(40)34-16-9-17(38-12-25(29,30)23(27)28)11-18(10-16)39-13-26(31,32)33/h4-11,23H,3,12-13H2,1-2H3,(H2,34,35,40)