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

Systemtic Name: dimethyl 3-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C17H14F3N3O6S2 MolecularWeight: 477.43477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H14F3N3O6S2/c1-7-11(14(24)28-2)13(31-12(7)15(25)29-3)22-16(30)21-10-5-4-8(23(26)27)6-9(10)17(18,19)20/h4-6H,1-3H3,(H2,21,22,30)