3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]propanethioic S-acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]propanethioic S-acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]thiopropionic acid Formula: C35H28N2O3S MolecularWeight: 556.67342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CC(=O)S)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CC(=O)S)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H28N2O3S/c38-35(41)21-32(24-11-17-30(18-12-24)39-22-28-15-9-26-5-1-3-7-33(26)36-28)25-13-19-31(20-14-25)40-23-29-16-10-27-6-2-4-8-34(27)37-29/h1-20,32H,21-23H2,(H,38,41)