2-(2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoic acid Openeye Name: 2-[(2-methyl-4-phenyl-3-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(2-methyl-4-phenyl-3-quinolinyl)thio]acetic acid IUPAC Name: 2-(2-methyl-4-phenylquinolin-3-yl)sulfanylacetic acid Traditional Name: 2-[(2-methyl-4-phenyl-3-quinolyl)thio]acetic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S/c1-12-18(22-11-16(20)21)17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19-12/h2-10H,11H2,1H3,(H,20,21)