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

Systemtic Name: ethyl 5-ethyl-2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17F3N2O2S2 MolecularWeight: 402.45429

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H17F3N2O2S2/c1-3-10-9-11(15(23)24-4-2)14(26-10)22-16(25)21-13-8-6-5-7-12(13)17(18,19)20/h5-9H,3-4H2,1-2H3,(H2,21,22,25)