methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H12F3N3O4S2 MolecularWeight: 419.39869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H12F3N3O4S2/c1-7-5-9(13(22)25-2)12(27-7)20-14(26)19-11-4-3-8(21(23)24)6-10(11)15(16,17)18/h3-6H,1-2H3,(H2,19,20,26)