2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(6-ethyl-3-methyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-ethyl-3-methyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-ethyl-3-methylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-ethyl-3-methyl-2-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)O)C

Isomeric SMILES

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)O)C

InChI

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