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

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H21F3N4O4S2 MolecularWeight: 538.56245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C23H21F3N4O4S2/c1-4-34-21(33)17-11(2)16(18(27)31)20(36-17)30-19(32)12(3)35-22-28-14(13-8-6-5-7-9-13)10-15(29-22)23(24,25)26/h5-10,12H,4H2,1-3H3,(H2,27,31)(H,30,32)