2-(3-ethylquinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-ethylquinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-ethyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-ethyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-ethylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-ethyl-2-quinolyl)thio]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H13NO2S/c1-2-9-7-10-5-3-4-6-11(10)14-13(9)17-8-12(15)16/h3-7H,2,8H2,1H3,(H,15,16)