2-(3-ethyl-2,8-dimethyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-ethyl-2,8-dimethyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-ethyl-2,8-dimethyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-ethyl-2,8-dimethyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-ethyl-2,8-dimethylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-ethyl-2,8-dimethyl-4-quinolyl)thio]acetic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-4-11-10(3)16-14-9(2)6-5-7-12(14)15(11)19-8-13(17)18/h5-7H,4,8H2,1-3H3,(H,17,18)