2-[2-(4-tert-butylphenyl)-3-(2-oxidanylideneethylsulfanyl)-4-phenyl-quinolin-5-yl]oxyethanal

Systemtic Name: 2-[2-(4-tert-butylphenyl)-3-(2-oxidanylideneethylsulfanyl)-4-phenyl-quinolin-5-yl]oxyethanal Openeye Name: 2-[[2-(4-tert-butylphenyl)-3-(2-oxoethylsulfanyl)-4-phenyl-5-quinolyl]oxy]acetaldehyde CAS Name: 2-[[2-(4-tert-butylphenyl)-3-(2-oxoethylthio)-4-phenyl-5-quinolinyl]oxy]acetaldehyde IUPAC Name: 2-[2-(4-tert-butylphenyl)-3-(2-oxoethylsulfanyl)-4-phenylquinolin-5-yl]oxyacetaldehyde Traditional Name: 2-[[2-(4-tert-butylphenyl)-3-(2-ketoethylthio)-4-phenyl-5-quinolyl]oxy]acetaldehyde Formula: C29H27NO3S MolecularWeight: 469.59458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C3C(=N2)C=CC=C3OCC=O)C4=CC=CC=C4)SCC=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C3C(=N2)C=CC=C3OCC=O)C4=CC=CC=C4)SCC=O

InChI

InChI=1S/C29H27NO3S/c1-29(2,3)22-14-12-21(13-15-22)27-28(34-19-17-32)25(20-8-5-4-6-9-20)26-23(30-27)10-7-11-24(26)33-18-16-31/h4-17H,18-19H2,1-3H3