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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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