3-methyl-2,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid

Systemtic Name: 3-methyl-2,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Openeye Name: 3-methyl-2,6-diphenyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid CAS Name: 3-methyl-2,6-diphenyl-3-[4-(2-quinolinylmethoxy)phenyl]hexanethioic S-acid IUPAC Name: 3-methyl-2,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Traditional Name: 3-methyl-2,6-diphenyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid Formula: C35H33NO2S MolecularWeight: 531.70702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C5=CC=CC=C5)C(=O)S

Isomeric SMILES

CC(CCCC1=CC=CC=C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C5=CC=CC=C5)C(=O)S

InChI

InChI=1S/C35H33NO2S/c1-35(24-10-13-26-11-4-2-5-12-26,33(34(37)39)28-15-6-3-7-16-28)29-19-22-31(23-20-29)38-25-30-21-18-27-14-8-9-17-32(27)36-30/h2-9,11-12,14-23,33H,10,13,24-25H2,1H3,(H,37,39)