methyl 8-(4-phenylquinolin-2-yl)sulfanyloctanoate

Systemtic Name: methyl 8-(4-phenylquinolin-2-yl)sulfanyloctanoate Openeye Name: methyl 8-[(4-phenyl-2-quinolyl)sulfanyl]octanoate CAS Name: 8-[(4-phenyl-2-quinolinyl)thio]octanoic acid methyl ester IUPAC Name: methyl 8-(4-phenylquinolin-2-yl)sulfanyloctanoate Traditional Name: 8-[(4-phenyl-2-quinolyl)thio]caprylic acid methyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO2S/c1-27-24(26)16-8-3-2-4-11-17-28-23-18-21(19-12-6-5-7-13-19)20-14-9-10-15-22(20)25-23/h5-7,9-10,12-15,18H,2-4,8,11,16-17H2,1H3