methyl 4-aminocarbonyl-3-methyl-5-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-aminocarbonyl-3-methyl-5-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: methyl 4-carbamoyl-3-methyl-5-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-carbamoyl-3-methyl-5-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C22H19F3N4O4S2 MolecularWeight: 524.53587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H19F3N4O4S2/c1-10-15(17(26)30)19(35-16(10)20(32)33-3)29-18(31)11(2)34-21-27-13(12-7-5-4-6-8-12)9-14(28-21)22(23,24)25/h4-9,11H,1-3H3,(H2,26,30)(H,29,31)