methyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]butyric acid methyl ester Formula: C18H16F3N3O3S2 MolecularWeight: 443.46315

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N

InChI

InChI=1S/C18H16F3N3O3S2/c1-27-16(26)5-2-6-23-15(25)10-29-17-11(9-22)12(18(19,20)21)8-13(24-17)14-4-3-7-28-14/h3-4,7-8H,2,5-6,10H2,1H3,(H,23,25)