methyl 2-[3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[3-[(E)-2-(7-butylsulfanyl-2-quinolyl)vinyl]phenoxy]acetate CAS Name: 2-[3-[(E)-2-[7-(butylthio)-2-quinolinyl]ethenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[3-[(E)-2-[7-(butylthio)-2-quinolyl]vinyl]phenoxy]acetic acid methyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)C=CC(=N2)C=CC3=CC(=CC=C3)OCC(=O)OC

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)OCC(=O)OC

InChI

InChI=1S/C24H25NO3S/c1-3-4-14-29-22-13-10-19-9-12-20(25-23(19)16-22)11-8-18-6-5-7-21(15-18)28-17-24(26)27-2/h5-13,15-16H,3-4,14,17H2,1-2H3/b11-8+