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

Systemtic Name: methyl 4-ethyl-2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[2-fluoro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H16F4N2O2S2 MolecularWeight: 420.444753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F4N2O2S2/c1-4-10-8(2)27-14(13(10)15(24)25-3)23-16(26)22-12-7-9(17(19,20)21)5-6-11(12)18/h5-7H,4H2,1-3H3,(H2,22,23,26)