2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid

Systemtic Name: 2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Openeye Name: 2-[4-(2-naphthylmethoxy)phenyl]-2-[4-(2-quinolylmethoxy)phenyl]butanethioic S-acid CAS Name: 2-[4-(2-naphthalenylmethoxy)phenyl]-2-[4-(2-quinolinylmethoxy)phenyl]butanethioic S-acid IUPAC Name: 2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Traditional Name: 2-[4-(2-naphthylmethoxy)phenyl]-2-[4-(2-quinolylmethoxy)phenyl]thiobutyric acid Formula: C37H31NO3S MolecularWeight: 569.71194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCC2=CC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)S

Isomeric SMILES

CCC(C1=CC=C(C=C1)OCC2=CC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)S

InChI

InChI=1S/C37H31NO3S/c1-2-37(36(39)42,30-14-19-33(20-15-30)40-24-26-11-12-27-7-3-4-9-29(27)23-26)31-16-21-34(22-17-31)41-25-32-18-13-28-8-5-6-10-35(28)38-32/h3-23H,2,24-25H2,1H3,(H,39,42)