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

Systemtic Name: methyl 2-[[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3,5-bis(2,2,2-trifluoroethoxy)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3,5-bis(2,2,2-trifluoroethoxy)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H20F6N2O4S2 MolecularWeight: 578.547019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H20F6N2O4S2/c1-13-18(14-6-4-3-5-7-14)19(21(33)34-2)20(38-13)32-22(37)31-15-8-16(35-11-23(25,26)27)10-17(9-15)36-12-24(28,29)30/h3-10H,11-12H2,1-2H3,(H2,31,32,37)