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

Systemtic Name: diethyl 3-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H18F3N3O6S2 MolecularWeight: 505.48793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H18F3N3O6S2/c1-4-30-16(26)13-9(3)14(17(27)31-5-2)33-15(13)24-18(32)23-12-7-6-10(25(28)29)8-11(12)19(20,21)22/h6-8H,4-5H2,1-3H3,(H2,23,24,32)