diethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H19F3N2O4S2 MolecularWeight: 460.49037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O4S2/c1-4-27-16(25)13-10(3)14(17(26)28-5-2)30-15(13)24-18(29)23-12-8-6-11(7-9-12)19(20,21)22/h6-9H,4-5H2,1-3H3,(H2,23,24,29)