4-methyl-2-[[2-(7-oxidanyl-8-phenoxy-oct-5-ynyl)phenyl]methyl]thiomorpholin-3-one

Systemtic Name: 4-methyl-2-[[2-(7-oxidanyl-8-phenoxy-oct-5-ynyl)phenyl]methyl]thiomorpholin-3-one Openeye Name: 2-[[2-(7-hydroxy-8-phenoxy-oct-5-ynyl)phenyl]methyl]-4-methyl-thiomorpholin-3-one CAS Name: 2-[[2-(7-hydroxy-8-phenoxyoct-5-ynyl)phenyl]methyl]-4-methyl-3-thiomorpholinone IUPAC Name: 2-[[2-(7-hydroxy-8-phenoxyoct-5-ynyl)phenyl]methyl]-4-methylthiomorpholin-3-one Traditional Name: 2-[2-(7-hydroxy-8-phenoxy-oct-5-ynyl)benzyl]-4-methyl-thiomorpholin-3-one Formula: C26H31NO3S MolecularWeight: 437.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCSC(C1=O)CC2=CC=CC=C2CCCCC#CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1CCSC(C1=O)CC2=CC=CC=C2CCCCC#CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C26H31NO3S/c1-27-17-18-31-25(26(27)29)19-22-13-10-9-12-21(22)11-5-2-3-6-14-23(28)20-30-24-15-7-4-8-16-24/h4,7-10,12-13,15-16,23,25,28H,2-3,5,11,17-20H2,1H3