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

Systemtic Name: 3-[2,3-bis[4-(quinolin-2-ylmethoxy)phenyl]phenyl]propanethioic S-acid Openeye Name: 3-[2,3-bis[4-(2-quinolylmethoxy)phenyl]phenyl]propanethioic S-acid CAS Name: 3-[2,3-bis[4-(2-quinolinylmethoxy)phenyl]phenyl]propanethioic S-acid IUPAC Name: 3-[2,3-bis[4-(quinolin-2-ylmethoxy)phenyl]phenyl]propanethioic S-acid Traditional Name: 3-[2,3-bis[4-(2-quinolylmethoxy)phenyl]phenyl]thiopropionic acid Formula: C41H32N2O3S MolecularWeight: 632.76938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=C(C(=CC=C4)CCC(=O)S)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=C(C(=CC=C4)CCC(=O)S)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C41H32N2O3S/c44-40(47)25-18-31-8-5-9-37(28-14-21-35(22-15-28)45-26-33-19-12-29-6-1-3-10-38(29)42-33)41(31)32-16-23-36(24-17-32)46-27-34-20-13-30-7-2-4-11-39(30)43-34/h1-17,19-24H,18,25-27H2,(H,44,47)