2-(2,7,8-trimethylquinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2,7,8-trimethylquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(2,7,8-trimethyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(2,7,8-trimethyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(2,7,8-trimethylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2,7,8-trimethyl-4-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C)SCC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C)SCC(=O)O)C

InChI

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