ethyl 6-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenoxy]hexanoate

Systemtic Name: ethyl 6-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenoxy]hexanoate Openeye Name: ethyl 6-[4-[2-(2-oxoethylsulfanyl)-3-quinolyl]phenoxy]hexanoate CAS Name: 6-[4-[2-(2-oxoethylthio)-3-quinolinyl]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(2-oxoethylsulfanyl)quinolin-3-yl]phenoxy]hexanoate Traditional Name: 6-[4-[2-(2-ketoethylthio)-3-quinolyl]phenoxy]hexanoic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2SCC=O

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2SCC=O

InChI

InChI=1S/C25H27NO4S/c1-2-29-24(28)10-4-3-7-16-30-21-13-11-19(12-14-21)22-18-20-8-5-6-9-23(20)26-25(22)31-17-15-27/h5-6,8-9,11-15,18H,2-4,7,10,16-17H2,1H3