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

Systemtic Name: diethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H18F6N2O4S2 MolecularWeight: 528.488339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F6N2O4S2/c1-4-31-16(29)13-9(3)14(17(30)32-5-2)34-15(13)28-18(33)27-12-7-10(19(21,22)23)6-11(8-12)20(24,25)26/h6-8H,4-5H2,1-3H3,(H2,27,28,33)