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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H14F3N3O4S2 MolecularWeight: 433.42527

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O4S2/c1-7-8(2)28-13(12(7)14(23)26-3)21-15(27)20-11-5-4-9(22(24)25)6-10(11)16(17,18)19/h4-6H,1-3H3,(H2,20,21,27)