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

Systemtic Name: 3-naphthalen-2-yl-2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Openeye Name: 3-(2-naphthyl)-2-[4-(2-naphthylmethoxy)phenyl]-2-[4-(2-quinolylmethoxy)phenyl]propanethioic S-acid CAS Name: 3-(2-naphthalenyl)-2-[4-(2-naphthalenylmethoxy)phenyl]-2-[4-(2-quinolinylmethoxy)phenyl]propanethioic S-acid IUPAC Name: 3-naphthalen-2-yl-2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid Traditional Name: 3-(2-naphthyl)-2-[4-(2-naphthylmethoxy)phenyl]-2-[4-(2-quinolylmethoxy)phenyl]thiopropionic acid Formula: C46H35NO3S MolecularWeight: 681.84

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)(C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8C=C7)C(=O)S

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)(C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8C=C7)C(=O)S

InChI

InChI=1S/C46H35NO3S/c48-45(51)46(29-32-13-15-34-7-1-3-10-37(34)27-32,39-18-23-42(24-19-39)49-30-33-14-16-35-8-2-4-11-38(35)28-33)40-20-25-43(26-21-40)50-31-41-22-17-36-9-5-6-12-44(36)47-41/h1-28H,29-31H2,(H,48,51)