2-[[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoate

Systemtic Name: 2-[[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]ethanoate Openeye Name: 2-[[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetate CAS Name: 2-[[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetate IUPAC Name: 2-[[1-[2-(1,1-diphenylethylsulfanyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetate Traditional Name: 2-[[1-[2-(1,1-diphenylethylthio)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetate Formula: C27H28NO3S- MolecularWeight: 446.58112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3CCCC4=C3C=CC=C4OCC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3CCCC4=C3C=CC=C4OCC(=O)[O-]

InChI

InChI=1S/C27H29NO3S/c1-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)32-19-18-28-17-9-14-23-24(28)15-8-16-25(23)31-20-26(29)30/h2-8,10-13,15-16H,9,14,17-20H2,1H3,(H,29,30)/p-1