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

Systemtic Name: diethyl 5-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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