3-[1,3-bis[4-(quinolin-2-ylmethoxy)phenyl]naphthalen-2-yl]propanethioic S-acid

Systemtic Name: 3-[1,3-bis[4-(quinolin-2-ylmethoxy)phenyl]naphthalen-2-yl]propanethioic S-acid Openeye Name: 3-[1,3-bis[4-(2-quinolylmethoxy)phenyl]-2-naphthyl]propanethioic S-acid CAS Name: 3-[1,3-bis[4-(2-quinolinylmethoxy)phenyl]-2-naphthalenyl]propanethioic S-acid IUPAC Name: 3-[1,3-bis[4-(quinolin-2-ylmethoxy)phenyl]naphthalen-2-yl]propanethioic S-acid Traditional Name: 3-[1,3-bis[4-(2-quinolylmethoxy)phenyl]-2-naphthyl]thiopropionic acid Formula: C45H34N2O3S MolecularWeight: 682.82806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CC5=CC=CC=C5C(=C4CCC(=O)S)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8C=C7

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CC5=CC=CC=C5C(=C4CCC(=O)S)C6=CC=C(C=C6)OCC7=NC8=CC=CC=C8C=C7

InChI

InChI=1S/C45H34N2O3S/c48-44(51)26-25-40-41(30-15-21-37(22-16-30)49-28-35-19-13-31-7-2-5-11-42(31)46-35)27-34-9-1-4-10-39(34)45(40)33-17-23-38(24-18-33)50-29-36-20-14-32-8-3-6-12-43(32)47-36/h1-24,27H,25-26,28-29H2,(H,48,51)