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

Systemtic Name: ethyl 5-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H16F3N3O3S2 MolecularWeight: 443.46315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O3S2/c1-4-27-17(26)15-9(2)5-14(29-15)24-13(25)8-28-16-11(7-22)12(18(19,20)21)6-10(3)23-16/h5-6H,4,8H2,1-3H3,(H,24,25)