2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3,5,7-trimethyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3,5,7-trimethyl-2-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)O

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C(=C1)C)C)SCC(=O)O

InChI

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