2-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C12H10F3N3O3S MolecularWeight: 333.28631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

InChI

InChI=1S/C12H10F3N3O3S/c1-6-2-8(12(13,14)15)7(3-16)11(18-6)22-5-9(19)17-4-10(20)21/h2H,4-5H2,1H3,(H,17,19)(H,20,21)