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

Systemtic Name: diethyl 5-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H18ClF3N2O4S2 MolecularWeight: 494.93543

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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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N2O4S2/c1-4-28-16(26)13-9(3)14(17(27)29-5-2)31-15(13)25-18(30)24-10-6-7-12(20)11(8-10)19(21,22)23/h6-8H,4-5H2,1-3H3,(H2,24,25,30)