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

Systemtic Name: ethyl 3-methyl-5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C16H15F3N2O2S2 MolecularWeight: 388.42771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C16H15F3N2O2S2/c1-3-23-14(22)13-9(2)7-12(25-13)21-15(24)20-11-6-4-5-10(8-11)16(17,18)19/h4-8H,3H2,1-2H3,(H2,20,21,24)