ethyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-fluoro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-fluoro-5-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18F4N2O2S2 MolecularWeight: 482.514133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18F4N2O2S2/c1-3-30-20(29)18-17(13-7-5-4-6-8-13)12(2)32-19(18)28-21(31)27-16-11-14(22(24,25)26)9-10-15(16)23/h4-11H,3H2,1-2H3,(H2,27,28,31)