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

Systemtic Name: [3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenyl] ethanoate Openeye Name: [3-[(E)-2-(7-butylsulfanyl-2-quinolyl)vinyl]phenyl] acetate CAS Name: acetic acid [3-[(E)-2-[7-(butylthio)-2-quinolinyl]ethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-(7-butylsulfanylquinolin-2-yl)ethenyl]phenyl] acetate Traditional Name: acetic acid [3-[(E)-2-[7-(butylthio)-2-quinolyl]vinyl]phenyl] ester Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO2S/c1-3-4-14-27-22-13-10-19-9-12-20(24-23(19)16-22)11-8-18-6-5-7-21(15-18)26-17(2)25/h5-13,15-16H,3-4,14H2,1-2H3/b11-8+