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

Systemtic Name: 2-[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C14H12F3N3O3S MolecularWeight: 359.32359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NCC(=O)O

InChI

InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-10(7-1-2-7)20-13(8(9)4-18)24-6-11(21)19-5-12(22)23/h3,7H,1-2,5-6H2,(H,19,21)(H,22,23)