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

Systemtic Name: 3-ethyl-2,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Openeye Name: 3-ethyl-2,6-diphenyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid CAS Name: 3-ethyl-2,6-diphenyl-3-[4-(2-quinolinylmethoxy)phenyl]hexanethioic S-acid IUPAC Name: 3-ethyl-2,6-diphenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Traditional Name: 3-ethyl-2,6-diphenyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid Formula: C36H35NO2S MolecularWeight: 545.7336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C36H35NO2S/c1-2-36(25-11-14-27-12-5-3-6-13-27,34(35(38)40)29-16-7-4-8-17-29)30-20-23-32(24-21-30)39-26-31-22-19-28-15-9-10-18-33(28)37-31/h3-10,12-13,15-24,34H,2,11,14,25-26H2,1H3,(H,38,40)