2-acetamido-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H12F3N3O3S MolecularWeight: 359.32359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H12F3N3O3S/c1-7(21)18-10(12(22)23)6-24-11-8-4-2-3-5-9(8)19-13(20-11)14(15,16)17/h2-5,10H,6H2,1H3,(H,18,21)(H,22,23)