2-(3-butyl-4-methyl-quinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-butyl-4-methyl-quinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-butyl-4-methyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-butyl-4-methyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-butyl-4-methylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-butyl-4-methyl-2-quinolyl)thio]acetic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1SCC(=O)O)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1SCC(=O)O)C

InChI

InChI=1S/C16H19NO2S/c1-3-4-7-13-11(2)12-8-5-6-9-14(12)17-16(13)20-10-15(18)19/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19)