ethyl 4-cyano-3-methyl-5-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H15F3N4O3S2 MolecularWeight: 444.45121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C)C#N)C

InChI

InChI=1S/C17H15F3N4O3S2/c1-4-27-15(26)13-9(3)10(6-21)14(29-13)24-12(25)7-28-16-22-8(2)5-11(23-16)17(18,19)20/h5H,4,7H2,1-3H3,(H,24,25)