ethyl 4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]sulfanylphenoxy]butanoate

Systemtic Name: ethyl 4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]sulfanylphenoxy]butanoate Openeye Name: ethyl 4-[3-[(E)-2-(7-bromo-2-quinolyl)vinyl]sulfanylphenoxy]butanoate CAS Name: 4-[3-[[(E)-2-(7-bromo-2-quinolinyl)ethenyl]thio]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-(7-bromoquinolin-2-yl)ethenyl]sulfanylphenoxy]butanoate Traditional Name: 4-[3-[[(E)-2-(7-bromo-2-quinolyl)vinyl]thio]phenoxy]butyric acid ethyl ester Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC(=CC=C1)SC=CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CCOC(=O)CCCOC1=CC(=CC=C1)S/C=C/C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C23H22BrNO3S/c1-2-27-23(26)7-4-13-28-20-5-3-6-21(16-20)29-14-12-19-11-9-17-8-10-18(24)15-22(17)25-19/h3,5-6,8-12,14-16H,2,4,7,13H2,1H3/b14-12+