2-azanyl-3-[6-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[[7-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[[7-(trifluoromethyl)-4-quinolinyl]thio]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[[7-(trifluoromethyl)-4-quinolyl]thio]methyl]-2-pyridyl]propionic acid Formula: C19H16F3N3O2S MolecularWeight: 407.40945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=NC(=C1)CSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC(C(=O)O)N

InChI

InChI=1S/C19H16F3N3O2S/c20-19(21,22)11-4-5-14-16(8-11)24-7-6-17(14)28-10-13-3-1-2-12(25-13)9-15(23)18(26)27/h1-8,15H,9-10,23H2,(H,26,27)