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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[sulfanylidene-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H21F7N2O4S2 MolecularWeight: 562.521262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F)C

InChI

InChI=1S/C21H21F7N2O4S2/c1-4-14-10(2)36-16(15(14)17(31)32-3)30-19(35)29-11-5-12(33-8-20(24,25)18(22)23)7-13(6-11)34-9-21(26,27)28/h5-7,18H,4,8-9H2,1-3H3,(H2,29,30,35)