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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H16F3N3O4S2 MolecularWeight: 447.45185

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C17H16F3N3O4S2/c1-4-10-8(2)29-14(13(10)15(24)27-3)22-16(28)21-12-6-5-9(23(25)26)7-11(12)17(18,19)20/h5-7H,4H2,1-3H3,(H2,21,22,28)