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

Systemtic Name: 2-[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

InChI

InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-6-13(10-4-2-1-3-5-10)23-16(11(12)7-21)27-9-14(24)22-8-15(25)26/h1-6H,8-9H2,(H,22,24)(H,25,26)