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

Systemtic Name: 2-phenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Openeye Name: 2-phenyl-3-[4-(2-quinolylmethoxy)phenyl]propanethioic S-acid CAS Name: 2-phenyl-3-[4-(2-quinolinylmethoxy)phenyl]propanethioic S-acid IUPAC Name: 2-phenyl-3-[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Traditional Name: 2-phenyl-3-[4-(2-quinolylmethoxy)phenyl]thiopropionic acid Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)S

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)S

InChI

InChI=1S/C25H21NO2S/c27-25(29)23(19-6-2-1-3-7-19)16-18-10-14-22(15-11-18)28-17-21-13-12-20-8-4-5-9-24(20)26-21/h1-15,23H,16-17H2,(H,27,29)