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

Systemtic Name: 2-(3-butyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-butyl-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-butyl-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-butyl-2-methyl-4-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=C1C)SCC(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SCC(=O)O

InChI

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