2-(propan-2-ylsulfanylmethyl)-3-quinolin-8-yl-propanoic acid

Systemtic Name: 2-(propan-2-ylsulfanylmethyl)-3-quinolin-8-yl-propanoic acid Openeye Name: 2-(isopropylsulfanylmethyl)-3-(8-quinolyl)propanoic acid CAS Name: 2-[(propan-2-ylthio)methyl]-3-(8-quinolinyl)propanoic acid IUPAC Name: 2-(propan-2-ylsulfanylmethyl)-3-quinolin-8-ylpropanoic acid Traditional Name: 2-[(isopropylthio)methyl]-3-(8-quinolyl)propionic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(CC1=CC=CC2=C1N=CC=C2)C(=O)O

Isomeric SMILES

CC(C)SCC(CC1=CC=CC2=C1N=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO2S/c1-11(2)20-10-14(16(18)19)9-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,11,14H,9-10H2,1-2H3,(H,18,19)