2-(8-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(8-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-ethyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(8-ethyl-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(8-ethyl-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-ethyl-2-methyl-4-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(C=C2SCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC2=C1N=C(C=C2SCC(=O)O)C

InChI

InChI=1S/C14H15NO2S/c1-3-10-5-4-6-11-12(18-8-13(16)17)7-9(2)15-14(10)11/h4-7H,3,8H2,1-2H3,(H,16,17)