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

Systemtic Name: 2-(3-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-ethyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-ethyl-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-ethyl-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-ethyl-2-methyl-4-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N=C1C)SCC(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N=C1C)SCC(=O)O

InChI

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