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

Systemtic Name: 2,6-diphenyl-3-propyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Openeye Name: 2,6-diphenyl-3-propyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid CAS Name: 2,6-diphenyl-3-propyl-3-[4-(2-quinolinylmethoxy)phenyl]hexanethioic S-acid IUPAC Name: 2,6-diphenyl-3-propyl-3-[4-(quinolin-2-ylmethoxy)phenyl]hexanethioic S-acid Traditional Name: 2,6-diphenyl-3-propyl-3-[4-(2-quinolylmethoxy)phenyl]hexanethioic S-acid Formula: C37H37NO2S MolecularWeight: 559.76018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C37H37NO2S/c1-2-25-37(26-11-14-28-12-5-3-6-13-28,35(36(39)41)30-16-7-4-8-17-30)31-20-23-33(24-21-31)40-27-32-22-19-29-15-9-10-18-34(29)38-32/h3-10,12-13,15-24,35H,2,11,14,25-27H2,1H3,(H,39,41)